data_2a63_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 2a63 _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 ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' CE2' HD12 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.449 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.449 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 34' ' ' ILE . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 HD12 ' CE2' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.934 0.397 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.417 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 40' ' ' ILE . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 6' ' ' THR . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.432 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.413 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 HD21 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.422 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.435 ' CE2' HD23 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.433 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.433 ' CZ3' HD11 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.435 HD23 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.417 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD11 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' PHE . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.447 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.461 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ALA . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.424 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.927 0.394 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.432 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 22' ' ' ASP . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.423 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.518 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.778 0.323 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 40' ' ' ILE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.996 0.427 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.429 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.429 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.428 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 40' ' ' ILE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' THR . 2.4 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.946 0.403 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.427 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.408 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.52 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.52 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CG ' HD13 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.446 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 22' ' ' ASP . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CD2' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.431 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.433 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.43 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.43 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.999 0.428 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . 0.443 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.991 0.424 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 5' ' ' ILE . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 13' ' ' ARG . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 40' ' ' ILE . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.73 167.69 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.15 37.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' CE2' HD12 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.449 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.449 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 HG23 ' A' ' 34' ' ' ILE . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 HD12 ' CE2' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.449 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.22 140.09 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.7 t -79.96 155.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -120.62 79.77 30.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -161.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.641 2.227 . . . . 0.0 112.2 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 127.62 66.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.747 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.12 84.86 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.404 2.069 . . . . 0.0 112.296 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -95.96 -59.0 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -107.12 167.95 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 25.66 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -104.09 168.08 9.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.811 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.95 118.87 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.083 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.866 0.365 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.62 87.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -97.82 39.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CD2' ' HG ' ' A' ' 42' ' ' LEU . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.427 ' HG ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.58 131.82 38.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -79.89 149.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -116.74 86.75 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.34 160.81 18.55 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.15 . . . . 0.0 112.145 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -75.56 -60.26 1.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 58' ' ' ASP . 73.4 Cg_endo -76.0 59.71 5.93 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.591 2.194 . . . . 0.0 112.252 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.1 m -73.71 -20.65 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.73 170.45 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.884 0.373 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -168.79 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 138.24 37.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -101.85 53.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.56 -41.57 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.057 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.06 142.01 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -120.36 41.7 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.414 HG22 ' CE1' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.417 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.415 HD11 HG21 ' A' ' 40' ' ' ILE . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CE1' HG22 ' A' ' 6' ' ' THR . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.22 108.75 13.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.3 p -94.23 80.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 134.12 6.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.779 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.22 144.54 46.67 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.431 2.087 . . . . 0.0 112.42 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -161.87 132.79 3.72 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.08 87.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.396 2.064 . . . . 0.0 112.199 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.4 p -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.53 163.23 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -148.75 61.71 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -117.67 174.31 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.6 179.42 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.2 p -148.04 32.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.176 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 61.42 169.24 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -147.96 39.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.448 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.413 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.413 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 HD21 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.55 133.7 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.66 131.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -126.88 154.74 76.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.87 133.96 59.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.93 115.58 13.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.31 65.15 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.615 2.21 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m 56.03 89.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.67 153.14 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 120.28 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -97.79 -31.76 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.81 -174.04 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -120.76 117.25 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 62.11 65.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.15 44.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.42 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.422 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.435 ' CE2' HD23 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.433 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.433 ' CZ3' HD11 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.435 HD23 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.419 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.428 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.419 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.86 119.06 35.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.95 146.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.68 107.26 59.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.68 143.39 61.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.408 2.072 . . . . 0.0 112.221 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.35 92.56 4.03 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.32 67.57 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.515 2.143 . . . . 0.0 112.238 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.2 t -77.28 -51.12 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -107.85 117.78 35.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.89 -61.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 155.49 48.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.2 t -150.95 95.95 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.82 31.79 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.076 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.7 140.13 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.48 37.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 HG22 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD11 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD11 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.417 ' CE2' HG22 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.406 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.406 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -113.84 144.25 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.55 140.37 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 127.18 23.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.95 -168.23 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.355 2.037 . . . . 0.0 112.374 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.86 148.98 49.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 95.67 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.285 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.71 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -90.9 82.4 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -127.09 38.59 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.29 44.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.6 p -79.92 152.4 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -95.08 -32.58 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.073 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 140.32 47.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -130.62 37.68 3.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.483 ' O ' ' HB2' ' A' ' 14' ' ' PHE . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.483 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.446 ' CG2' ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.447 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.447 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.45 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.401 ' CG1' ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.9 149.78 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 16.9 t -126.06 160.62 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.81 159.79 70.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.44 137.26 19.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.767 2.311 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -63.14 155.94 70.95 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.66 61.63 3.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 m -155.25 -66.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.6 136.21 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -86.89 -52.57 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.18 171.32 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 t -145.3 91.52 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -102.82 148.32 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.049 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.22 -169.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -126.12 39.73 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.71 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.433 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.461 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.461 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.435 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -124.75 134.37 52.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 10.8 p -157.74 109.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.23 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -150.6 78.83 7.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.56 137.95 26.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t0 49.39 71.65 1.51 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.12 86.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.653 2.235 . . . . 0.0 112.218 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -162.73 86.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -126.39 143.88 51.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 -43.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.34 119.95 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -131.95 135.54 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.1 p -108.03 119.01 38.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.062 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.79 101.77 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -137.77 41.73 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CG ' ' O ' ' A' ' 29' ' ' ALA . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.424 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.427 HG13 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.424 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -127.05 148.16 50.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.69 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 96.2 6.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.84 174.48 8.62 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.524 2.15 . . . . 0.0 112.228 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -160.26 79.07 2.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.68 86.84 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.73 78.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.75 137.96 53.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -131.22 -67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -108.18 142.98 37.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 t -105.12 121.3 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 p -119.23 31.2 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.045 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.904 0.383 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.99 125.17 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -114.47 37.23 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.418 HG23 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.432 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.432 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 ' CD1' ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.42 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.4 ' CG2' ' HB3' ' A' ' 22' ' ' ASP . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 42' ' ' LEU . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -97.35 120.25 37.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.92 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 83.76 47.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 130.18 10.63 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.623 2.216 . . . . 0.0 112.24 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.55 99.91 1.53 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.6 61.54 3.61 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.469 2.113 . . . . 0.0 112.339 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -157.78 31.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.61 154.14 31.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 37.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -158.51 147.45 18.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 t -96.51 79.47 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -98.21 -66.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.044 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.752 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 62.63 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.14 37.64 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.792 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.423 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.423 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.518 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.518 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.67 127.25 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.96 150.28 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -106.18 139.46 20.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.644 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.61 153.59 18.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 112.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.25 65.16 6.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.491 2.128 . . . . 0.0 112.362 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.56 78.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -124.36 129.99 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -158.44 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.19 81.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 171.85 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -94.16 -35.86 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ttt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 159.01 19.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 39.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 40' ' ' ILE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.427 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.85 178.59 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.39 85.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.11 125.37 21.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.98 122.7 7.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.396 2.064 . . . . 0.0 112.372 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.91 -58.41 0.24 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.03 71.73 6.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.486 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -72.1 -59.15 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.32 84.88 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -122.1 128.86 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.23 159.57 15.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -146.9 134.57 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -144.38 147.43 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.64 170.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.1 36.72 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.429 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.429 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.95 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.1 t -84.64 151.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -80.16 135.52 54.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.798 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.16 -169.31 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.492 2.128 . . . . 0.0 112.211 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.15 166.79 12.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.96 87.31 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.492 2.128 . . . . 0.0 112.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -90.19 54.18 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -79.95 164.99 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 150.99 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.03 164.43 33.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -94.01 147.21 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -131.91 131.11 42.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.05 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.873 0.368 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.08 157.84 23.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.97 37.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.428 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 HG23 HD12 ' A' ' 40' ' ' ILE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.428 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.09 147.47 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.2 t -79.95 86.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -139.84 107.31 6.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.33 134.67 31.64 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.482 2.122 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.06 93.48 4.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.36 78.44 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.385 2.057 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.89 -58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -88.37 54.42 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -146.17 -48.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -150.03 174.69 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 m -147.27 89.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -116.58 -50.06 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.095 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.861 0.363 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.48 81.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 43' ' ' THR . 2.4 mp0 -123.71 39.8 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.427 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG1' ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.408 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' A' ' 3' ' ' GLN . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.52 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.52 ' HB ' ' HA ' ' A' ' 44' ' ' ILE . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -102.1 137.88 39.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.18 150.53 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 155.87 36.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 136.8 56.05 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.729 2.286 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.407 ' HB3' ' CD ' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -57.13 169.51 0.69 Allowed Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.302 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' ' 58' ' ' ASP . 35.7 Cg_exo -60.02 -150.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.54 2.16 . . . . 0.0 111.584 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.59 19.93 8.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -160.07 56.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -80.08 158.99 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.021 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.19 -46.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.99 121.9 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 p -88.75 129.74 35.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.089 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.4 mtm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.822 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.56 161.79 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -152.3 39.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CG ' HD13 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.446 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.446 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.442 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 22' ' ' ASP . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.08 163.57 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.97 104.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -141.22 139.52 19.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.452 2.102 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -116.54 64.61 3.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.15 63.02 2.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.487 2.124 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -104.1 33.96 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.14 129.85 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -109.18 -26.8 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.0 134.26 36.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.75 90.87 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.19 -47.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.054 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.787 0.327 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.24 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 38.01 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' HA ' ' CE3' ' A' ' 33' ' ' TRP . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.43 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 39' ' ' LYS . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.419 HD13 ' CD2' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.431 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.8 44.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -127.91 134.71 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -97.51 130.0 30.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.06 -179.11 5.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.617 2.211 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.67 -56.23 0.67 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -43.64 94.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.709 2.272 . . . . 0.0 112.584 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -88.27 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.79 -166.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -79.92 160.24 26.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -155.57 119.24 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 154.98 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.3 p -140.66 31.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.083 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.81 0.338 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.3 117.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.16 37.62 1.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' CD2' ' CD1' ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.433 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.433 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.447 ' CD1' ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.43 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.43 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.0 160.73 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.02 93.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 133.94 25.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.97 144.03 33.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.486 2.124 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -129.42 71.78 82.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 63.27 2.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 m -142.17 -58.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.45 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -58.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.07 97.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -87.58 73.75 9.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 m -122.05 152.93 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.133 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.83 56.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -97.46 38.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.794 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 ' CD1' ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . 0.443 ' CZ3' ' CD1' ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.463 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.47 136.76 41.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.27 80.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -134.17 104.89 11.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.88 136.23 43.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.455 2.103 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.8 132.71 20.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -62.1 76.06 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.564 2.176 . . . . 0.0 112.369 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 m 52.65 83.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -112.93 143.48 44.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.03 150.34 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -151.18 91.96 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.04 82.94 8.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -128.56 157.63 40.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.028 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.85 157.15 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.22 36.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.401 HG22 ' HB2' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' HB2' HG22 ' A' ' 5' ' ' ILE . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE2' HD21 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 13' ' ' ARG . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 40' ' ' ILE . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -95.73 131.54 41.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.62 89.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.0 144.63 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.7 143.81 34.36 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.89 122.23 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.68 93.7 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.361 2.041 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 m -138.91 56.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.99 99.85 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 91.85 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -138.45 109.22 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.8 p -135.48 106.14 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -137.01 66.61 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.105 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 6' ' ' THR . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.883 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 HD13 ' A' ' 23' ' ' LEU . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 30' ' ' ILE . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.883 HD11 ' CG ' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' OE1' ' A' ' 3' ' ' GLN . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.879 HG11 HD12 ' A' ' 42' ' ' LEU . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.682 ' H ' HG22 ' A' ' 5' ' ' ILE . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.537 HD21 ' HE3' ' A' ' 33' ' ' TRP . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.855 ' OH ' HG21 ' A' ' 50' ' ' VAL . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.642 ' O ' HD13 ' A' ' 23' ' ' LEU . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.775 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 25' ' ' VAL . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.537 ' HE3' HD21 ' A' ' 7' ' ' LEU . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 41' ' ' PHE . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 40' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.734 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 5' ' ' ILE . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' OH ' ' A' ' 10' ' ' TYR . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.753 ' OE1' HD11 ' A' ' 5' ' ' ILE . 3.1 mm-40 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.934 0.397 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.753 HD11 ' OE1' ' A' ' 3' ' ' GLN . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HA ' HD11 ' A' ' 42' ' ' LEU . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' OH ' HG21 ' A' ' 50' ' ' VAL . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.842 HG22 ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.842 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.745 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 5' ' ' ILE . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 43' ' ' THR . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.589 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 42' ' ' LEU . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 30' ' ' ILE . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.838 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.912 HG21 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 22' ' ' ASP . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 51' ' ' TYR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.912 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.434 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.434 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.657 HG21 ' HB1' ' A' ' 52' ' ' ALA . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 6' ' ' THR . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.408 ' NE2' ' HB ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 6' ' ' THR . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.817 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 34' ' ' ILE . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 HD23 ' A' ' 7' ' ' LEU . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HB ' ' NE2' ' A' ' 3' ' ' GLN . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.828 ' CD1' HG23 ' A' ' 19' ' ' THR . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.543 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.733 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 40' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.733 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.466 ' OE1' HD11 ' A' ' 5' ' ' ILE . 1.8 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.66 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' LEU . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.682 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 HD13 ' A' ' 23' ' ' LEU . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD2' HG21 ' A' ' 50' ' ' VAL . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.624 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.566 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD12 HD11 ' A' ' 5' ' ' ILE . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.468 ' HG2' HD12 ' A' ' 44' ' ' ILE . 1.4 tt0 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 6' ' ' THR . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 5' ' ' ILE . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 33' ' ' TRP . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' HE3' ' A' ' 12' ' ' MET . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' A' ' 8' ' ' LYS . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.574 ' HE3' HD21 ' A' ' 7' ' ' LEU . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 41' ' ' PHE . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' HG2' ' A' ' 3' ' ' GLN . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.927 0.394 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 6' ' ' THR . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HD1' ' HG1' ' A' ' 19' ' ' THR . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.427 ' HG1' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.641 ' CG2' HD11 ' A' ' 30' ' ' ILE . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 25' ' ' VAL . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.497 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HG2' HD11 ' A' ' 40' ' ' ILE . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 6' ' ' THR . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.747 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 42' ' ' LEU . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CG ' HD13 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HE2' HD12 ' A' ' 5' ' ' ILE . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 50' ' ' VAL . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.959 HG21 ' HB1' ' A' ' 52' ' ' ALA . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 22' ' ' ASP . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.959 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.778 0.323 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.556 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 40' ' ' ILE . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 42' ' ' LEU . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 23' ' ' LEU . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.696 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.996 0.427 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.633 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.633 ' H ' HG22 ' A' ' 5' ' ' ILE . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 34' ' ' ILE . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.603 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.742 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.588 HD11 ' HG ' ' A' ' 7' ' ' LEU . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.534 HG21 ' OH ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' OH ' HG21 ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 6' ' ' THR . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 5' ' ' ILE . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 50' ' ' VAL . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.804 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.485 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 HG11 ' A' ' 50' ' ' VAL . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.996 HG11 HD12 ' A' ' 42' ' ' LEU . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' THR . 2.4 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.946 0.403 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.661 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.901 ' CD2' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.666 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 ' HD2' ' A' ' 21' ' ' LYS . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.721 ' HB3' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.587 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 23' ' ' LEU . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.666 HG21 ' HG2' ' A' ' 16' ' ' GLN . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 34' ' ' ILE . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 40' ' ' ILE . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.832 ' C ' HG23 ' A' ' 50' ' ' VAL . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.832 HG23 ' C ' ' A' ' 43' ' ' THR . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.587 ' H ' HD21 ' A' ' 23' ' ' LEU . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.578 ' N ' HG22 ' A' ' 5' ' ' ILE . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 34' ' ' ILE . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' CG ' HD11 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.433 HG23 ' CD1' ' A' ' 10' ' ' TYR . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' ' 7' ' ' LEU . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' HD11 ' A' ' 40' ' ' ILE . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 41' ' ' PHE . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 40' ' ' ILE . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.825 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 42' ' ' LEU . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.555 ' N ' HG22 ' A' ' 5' ' ' ILE . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.833 ' CG ' HD11 ' A' ' 42' ' ' LEU . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 30' ' ' ILE . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.833 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 30' ' ' ILE . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.944 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG23 HD11 ' A' ' 7' ' ' LEU . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' ILE . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.944 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 5' ' ' ILE . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 42' ' ' LEU . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 53' ' ' GLU . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.999 0.428 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.893 ' HA ' HD11 ' A' ' 42' ' ' LEU . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.774 ' CD1' HG23 ' A' ' 19' ' ' THR . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG2' ' A' ' 16' ' ' GLN . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.774 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 34' ' ' ILE . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.5 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.71 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.991 0.424 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.544 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 5' ' ' ILE . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.823 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 1.015 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.661 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 50' ' ' VAL . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.73 167.69 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.15 37.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 6' ' ' THR . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.883 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 HD13 ' A' ' 23' ' ' LEU . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 30' ' ' ILE . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.883 HD11 ' CG ' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' OE1' ' A' ' 3' ' ' GLN . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.879 HG11 HD12 ' A' ' 42' ' ' LEU . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.22 140.09 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 56' ' ' LYS . 20.7 t -79.96 155.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.7 mtmp? -120.62 79.77 30.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -161.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.641 2.227 . . . . 0.0 112.2 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 127.62 66.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.747 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.12 84.86 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.404 2.069 . . . . 0.0 112.296 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -95.96 -59.0 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -107.12 167.95 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 25.66 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -104.09 168.08 9.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.811 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.95 118.87 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.083 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.866 0.365 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.62 87.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -97.82 39.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.682 ' H ' HG22 ' A' ' 5' ' ' ILE . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.537 HD21 ' HE3' ' A' ' 33' ' ' TRP . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.855 ' OH ' HG21 ' A' ' 50' ' ' VAL . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.642 ' O ' HD13 ' A' ' 23' ' ' LEU . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.775 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 25' ' ' VAL . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.537 ' HE3' HD21 ' A' ' 7' ' ' LEU . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 41' ' ' PHE . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 40' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.734 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 5' ' ' ILE . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' OH ' ' A' ' 10' ' ' TYR . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.58 131.82 38.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -79.89 149.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -116.74 86.75 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.34 160.81 18.55 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.15 . . . . 0.0 112.145 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -75.56 -60.26 1.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 58' ' ' ASP . 73.4 Cg_endo -76.0 59.71 5.93 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.591 2.194 . . . . 0.0 112.252 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.1 m -73.71 -20.65 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.73 170.45 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.884 0.373 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -168.79 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 138.24 37.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -101.85 53.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.56 -41.57 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.057 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.06 142.01 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.753 ' OE1' HD11 ' A' ' 5' ' ' ILE . 3.1 mm-40 -120.36 41.7 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.753 HD11 ' OE1' ' A' ' 3' ' ' GLN . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HA ' HD11 ' A' ' 42' ' ' LEU . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' OH ' HG21 ' A' ' 50' ' ' VAL . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.842 HG22 ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.842 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.745 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 5' ' ' ILE . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.22 108.75 13.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -94.23 80.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 134.12 6.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.779 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.22 144.54 46.67 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.431 2.087 . . . . 0.0 112.42 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -161.87 132.79 3.72 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.08 87.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.396 2.064 . . . . 0.0 112.199 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.4 p -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.53 163.23 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -148.75 61.71 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -117.67 174.31 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -126.6 179.42 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.478 ' H ' HG22 ' A' ' 64' ' ' THR . 35.2 p -148.04 32.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.176 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 61.42 169.24 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -147.96 39.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 43' ' ' THR . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.589 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 42' ' ' LEU . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 30' ' ' ILE . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.838 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.912 HG21 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 22' ' ' ASP . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 51' ' ' TYR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.912 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.55 133.7 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.66 131.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -126.88 154.74 76.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.87 133.96 59.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 t0 -59.93 115.58 13.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.31 65.15 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.615 2.21 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m 56.03 89.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.67 153.14 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 120.28 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -97.79 -31.76 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -103.81 -174.04 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.437 ' H ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -120.76 117.25 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 62.11 65.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.15 44.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.434 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.434 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.657 HG21 ' HB1' ' A' ' 52' ' ' ALA . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HE1' HG11 ' A' ' 55' ' ' VAL . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.86 119.06 35.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG11 ' HE1' ' A' ' 41' ' ' PHE . 8.5 p -82.95 146.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.68 107.26 59.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.68 143.39 61.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.408 2.072 . . . . 0.0 112.221 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.35 92.56 4.03 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.32 67.57 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.515 2.143 . . . . 0.0 112.238 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.2 t -77.28 -51.12 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -107.85 117.78 35.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.89 -61.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 155.49 48.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.509 ' O ' HG23 ' A' ' 64' ' ' THR . 5.2 t -150.95 95.95 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.82 31.79 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.076 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.7 140.13 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.408 ' NE2' ' HB ' ' A' ' 44' ' ' ILE . 0.9 OUTLIER -98.48 37.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 6' ' ' THR . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.817 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 34' ' ' ILE . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 HD23 ' A' ' 7' ' ' LEU . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.762 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 ' HB ' ' NE2' ' A' ' 3' ' ' GLN . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -113.84 144.25 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.55 140.37 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 127.18 23.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.95 -168.23 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.355 2.037 . . . . 0.0 112.374 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.86 148.98 49.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 95.67 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.285 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.71 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -90.9 82.4 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -127.09 38.59 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.29 44.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.6 p -79.92 152.4 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -95.08 -32.58 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.073 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 140.32 47.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -130.62 37.68 3.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.828 ' CD1' HG23 ' A' ' 19' ' ' THR . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.543 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.733 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 40' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.733 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.9 149.78 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 56' ' ' LYS . 16.9 t -126.06 160.62 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.492 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.81 159.79 70.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.957 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.44 137.26 19.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.767 2.311 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -63.14 155.94 70.95 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.66 61.63 3.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 m -155.25 -66.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.6 136.21 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -86.89 -52.57 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.18 171.32 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 t -145.3 91.52 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -102.82 148.32 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.049 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.22 -169.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' OE1' HD11 ' A' ' 5' ' ' ILE . 1.8 mm-40 -126.12 39.73 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.66 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' LEU . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.682 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 HD13 ' A' ' 23' ' ' LEU . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD2' HG21 ' A' ' 50' ' ' VAL . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.624 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.566 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD12 HD11 ' A' ' 5' ' ' ILE . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -124.75 134.37 52.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 55' ' ' VAL . 10.8 p -157.74 109.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -150.6 78.83 7.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.56 137.95 26.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t0 49.39 71.65 1.51 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.12 86.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.653 2.235 . . . . 0.0 112.218 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -162.73 86.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -126.39 143.88 51.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 -43.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.34 119.95 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -131.95 135.54 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.1 p -108.03 119.01 38.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.062 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.79 101.77 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' HG2' HD12 ' A' ' 44' ' ' ILE . 1.4 tt0 -137.77 41.73 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 6' ' ' THR . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 5' ' ' ILE . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 33' ' ' TRP . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' HE3' ' A' ' 12' ' ' MET . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' A' ' 8' ' ' LYS . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.574 ' HE3' HD21 ' A' ' 7' ' ' LEU . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 41' ' ' PHE . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' HG2' ' A' ' 3' ' ' GLN . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -127.05 148.16 50.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.69 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 96.2 6.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.84 174.48 8.62 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.524 2.15 . . . . 0.0 112.228 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -160.26 79.07 2.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.68 86.84 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.73 78.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -125.75 137.96 53.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -131.22 -67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -108.18 142.98 37.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 t -105.12 121.3 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 p -119.23 31.2 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.045 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.904 0.383 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.99 125.17 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -114.47 37.23 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 6' ' ' THR . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HD1' ' HG1' ' A' ' 19' ' ' THR . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.427 ' HG1' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.641 ' CG2' HD11 ' A' ' 30' ' ' ILE . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 25' ' ' VAL . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.497 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HG2' HD11 ' A' ' 40' ' ' ILE . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 6' ' ' THR . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.747 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -97.35 120.25 37.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.92 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 83.76 47.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 130.18 10.63 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.623 2.216 . . . . 0.0 112.24 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.55 99.91 1.53 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.6 61.54 3.61 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.469 2.113 . . . . 0.0 112.339 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -157.78 31.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.61 154.14 31.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 37.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -158.51 147.45 18.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 t -96.51 79.47 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -98.21 -66.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.044 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.752 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 62.63 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.14 37.64 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.792 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 42' ' ' LEU . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CG ' HD13 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HE2' HD12 ' A' ' 5' ' ' ILE . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 50' ' ' VAL . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.959 HG21 ' HB1' ' A' ' 52' ' ' ALA . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 22' ' ' ASP . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.959 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.67 127.25 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.96 150.28 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -106.18 139.46 20.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.644 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.61 153.59 18.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 112.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.25 65.16 6.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.491 2.128 . . . . 0.0 112.362 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.56 78.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -124.36 129.99 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -158.44 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.19 81.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 171.85 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -94.16 -35.86 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ttt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 159.01 19.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 39.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.556 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 40' ' ' ILE . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 42' ' ' LEU . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 23' ' ' LEU . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.696 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.85 178.59 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.39 85.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.11 125.37 21.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.98 122.7 7.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.396 2.064 . . . . 0.0 112.372 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CB ' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -90.91 -58.41 0.24 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 58' ' ' ASP . 85.8 Cg_endo -82.03 71.73 6.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.486 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -72.1 -59.15 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.32 84.88 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -122.1 128.86 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.23 159.57 15.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -146.9 134.57 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -144.38 147.43 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.64 170.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.1 36.72 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.633 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.633 ' H ' HG22 ' A' ' 5' ' ' ILE . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 34' ' ' ILE . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.603 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.742 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.541 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD11 ' HG ' ' A' ' 7' ' ' LEU . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.534 HG21 ' OH ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' OH ' HG21 ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.95 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.1 t -84.64 151.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -80.16 135.52 54.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.798 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.16 -169.31 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.492 2.128 . . . . 0.0 112.211 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.15 166.79 12.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.96 87.31 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.492 2.128 . . . . 0.0 112.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -90.19 54.18 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -79.95 164.99 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 150.99 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.03 164.43 33.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -94.01 147.21 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -131.91 131.11 42.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.05 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.873 0.368 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.08 157.84 23.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.97 37.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 6' ' ' THR . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 5' ' ' ILE . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 50' ' ' VAL . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.804 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.485 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 HG11 ' A' ' 50' ' ' VAL . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.996 HG11 HD12 ' A' ' 42' ' ' LEU . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.09 147.47 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.2 t -79.95 86.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -139.84 107.31 6.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.33 134.67 31.64 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.482 2.122 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.06 93.48 4.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.36 78.44 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.385 2.057 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.89 -58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -88.37 54.42 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -146.17 -48.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -150.03 174.69 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 m -147.27 89.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -116.58 -50.06 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.095 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.861 0.363 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.48 81.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.488 ' H ' HG23 ' A' ' 43' ' ' THR . 2.4 mp0 -123.71 39.8 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.661 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.901 ' CD2' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.666 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 ' HD2' ' A' ' 21' ' ' LYS . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.721 ' HB3' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 23' ' ' LEU . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.666 HG21 ' HG2' ' A' ' 16' ' ' GLN . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 34' ' ' ILE . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 40' ' ' ILE . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.832 ' C ' HG23 ' A' ' 50' ' ' VAL . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.832 HG23 ' C ' ' A' ' 43' ' ' THR . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.587 ' H ' HD21 ' A' ' 23' ' ' LEU . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -102.1 137.88 39.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.18 150.53 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 155.87 36.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 136.8 56.05 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.729 2.286 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -57.13 169.51 0.69 Allowed Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.302 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 58' ' ' ASP . 35.7 Cg_exo -60.02 -150.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.54 2.16 . . . . 0.0 111.584 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.59 19.93 8.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 58' ' ' ASP . 3.5 p30 -160.07 56.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -80.08 158.99 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.021 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.19 -46.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.99 121.9 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 p -88.75 129.74 35.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.089 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.4 mtm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.822 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.56 161.79 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -152.3 39.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.578 ' N ' HG22 ' A' ' 5' ' ' ILE . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 34' ' ' ILE . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' CG ' HD11 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 HG23 ' CD1' ' A' ' 10' ' ' TYR . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' ' 7' ' ' LEU . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' HD11 ' A' ' 40' ' ' ILE . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 41' ' ' PHE . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 40' ' ' ILE . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.825 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 32.3 m120 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 42' ' ' LEU . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.08 163.57 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.97 104.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -141.22 139.52 19.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.452 2.102 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -116.54 64.61 3.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.15 63.02 2.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.487 2.124 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -104.1 33.96 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.14 129.85 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -109.18 -26.8 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.0 134.26 36.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.75 90.87 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.19 -47.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.054 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.787 0.327 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.24 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 38.01 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.555 ' N ' HG22 ' A' ' 5' ' ' ILE . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.833 ' CG ' HD11 ' A' ' 42' ' ' LEU . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 30' ' ' ILE . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.833 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.8 44.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -127.91 134.71 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -97.51 130.0 30.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.06 -179.11 5.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.617 2.211 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.67 -56.23 0.67 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -43.64 94.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.709 2.272 . . . . 0.0 112.584 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -88.27 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.79 -166.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -79.92 160.24 26.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -155.57 119.24 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 154.98 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.3 p -140.66 31.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.083 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.81 0.338 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.3 117.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.16 37.62 1.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 30' ' ' ILE . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.944 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG23 HD11 ' A' ' 7' ' ' LEU . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' ILE . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.944 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 5' ' ' ILE . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 42' ' ' LEU . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 53' ' ' GLU . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.0 160.73 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.02 93.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 133.94 25.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.97 144.03 33.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.486 2.124 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -129.42 71.78 82.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 63.27 2.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 m -142.17 -58.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.45 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -58.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.07 97.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -87.58 73.75 9.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 m -122.05 152.93 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.133 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.83 56.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -97.46 38.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.794 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.893 ' HA ' HD11 ' A' ' 42' ' ' LEU . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.774 ' CD1' HG23 ' A' ' 19' ' ' THR . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG2' ' A' ' 16' ' ' GLN . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.774 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 34' ' ' ILE . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.5 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.71 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.47 136.76 41.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.27 80.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -134.17 104.89 11.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.88 136.23 43.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.455 2.103 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -106.8 132.71 20.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 27.0 Cg_exo -62.1 76.06 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.564 2.176 . . . . 0.0 112.369 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 m 52.65 83.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -112.93 143.48 44.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.03 150.34 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -151.18 91.96 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.04 82.94 8.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -128.56 157.63 40.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.028 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.85 157.15 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.22 36.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.544 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 5' ' ' ILE . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.823 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.015 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.661 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 50' ' ' VAL . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -95.73 131.54 41.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.62 89.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.0 144.63 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.7 143.81 34.36 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.89 122.23 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.68 93.7 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.361 2.041 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 m -138.91 56.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.99 99.85 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 91.85 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -138.45 109.22 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.8 p -135.48 106.14 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -137.01 66.61 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.105 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.961 0.41 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 6' ' ' THR . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.883 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 HD13 ' A' ' 23' ' ' LEU . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 30' ' ' ILE . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.883 HD11 ' CG ' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' OE1' ' A' ' 3' ' ' GLN . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.879 HG11 HD12 ' A' ' 42' ' ' LEU . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.877 0.37 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.682 ' H ' HG22 ' A' ' 5' ' ' ILE . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.537 HD21 ' HE3' ' A' ' 33' ' ' TRP . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.855 ' OH ' HG21 ' A' ' 50' ' ' VAL . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.642 ' O ' HD13 ' A' ' 23' ' ' LEU . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.775 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 25' ' ' VAL . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.537 ' HE3' HD21 ' A' ' 7' ' ' LEU . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 41' ' ' PHE . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 40' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.734 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 5' ' ' ILE . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' OH ' ' A' ' 10' ' ' TYR . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.753 ' OE1' HD11 ' A' ' 5' ' ' ILE . 3.1 mm-40 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.934 0.397 . . . . 0.0 110.768 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.753 HD11 ' OE1' ' A' ' 3' ' ' GLN . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HA ' HD11 ' A' ' 42' ' ' LEU . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.558 ' OH ' HG21 ' A' ' 50' ' ' VAL . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.842 HG22 ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.842 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 30' ' ' ILE . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 5' ' ' ILE . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.737 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.887 0.375 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 43' ' ' THR . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.589 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 42' ' ' LEU . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 30' ' ' ILE . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.838 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.543 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.912 HG21 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 22' ' ' ASP . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 51' ' ' TYR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.912 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.917 0.389 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.434 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.434 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.657 HG21 ' HB1' ' A' ' 52' ' ' ALA . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CE2' HG23 ' A' ' 6' ' ' THR . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.516 HE22 HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.887 0.375 . . . . 0.0 110.734 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 6' ' ' THR . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.817 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 34' ' ' ILE . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.599 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 HD23 ' A' ' 7' ' ' LEU . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.762 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.828 ' CD1' HG23 ' A' ' 19' ' ' THR . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.543 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.733 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 40' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.733 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.466 ' OE1' HD11 ' A' ' 5' ' ' ILE . 1.8 mm-40 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.837 0.351 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.66 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' LEU . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.682 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 HD13 ' A' ' 23' ' ' LEU . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD2' HG21 ' A' ' 50' ' ' VAL . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.624 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.566 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.502 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD12 HD11 ' A' ' 5' ' ' ILE . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.468 ' HG2' HD12 ' A' ' 44' ' ' ILE . 1.4 tt0 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 6' ' ' THR . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 5' ' ' ILE . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 33' ' ' TRP . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' HE3' ' A' ' 12' ' ' MET . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' A' ' 8' ' ' LYS . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.574 ' HE3' HD21 ' A' ' 7' ' ' LEU . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 41' ' ' PHE . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' HG2' ' A' ' 3' ' ' GLN . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.927 0.394 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 6' ' ' THR . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HD1' ' HG1' ' A' ' 19' ' ' THR . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.427 ' HG1' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.641 ' CG2' HD11 ' A' ' 30' ' ' ILE . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 25' ' ' VAL . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.497 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HG2' HD11 ' A' ' 40' ' ' ILE . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 6' ' ' THR . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.916 0.389 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 42' ' ' LEU . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CG ' HD13 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HE2' HD12 ' A' ' 5' ' ' ILE . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 50' ' ' VAL . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.959 HG21 ' HB1' ' A' ' 52' ' ' ALA . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 22' ' ' ASP . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.959 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.778 0.323 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.556 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 40' ' ' ILE . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 42' ' ' LEU . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 23' ' ' LEU . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.696 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.996 0.427 . . . . 0.0 110.763 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.633 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.633 ' H ' HG22 ' A' ' 5' ' ' ILE . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 34' ' ' ILE . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.603 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.742 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.742 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.588 HD11 ' HG ' ' A' ' 7' ' ' LEU . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.534 HG21 ' OH ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.534 ' OH ' HG21 ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.846 0.355 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 6' ' ' THR . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 5' ' ' ILE . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 50' ' ' VAL . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.804 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.485 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 HG11 ' A' ' 50' ' ' VAL . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.996 HG11 HD12 ' A' ' 42' ' ' LEU . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.415 ' O ' ' HA ' ' A' ' 43' ' ' THR . 2.4 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.946 0.403 . . . . 0.0 110.756 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.661 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.901 ' CD2' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.666 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 ' HD2' ' A' ' 21' ' ' LYS . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.721 ' HB3' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.587 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 23' ' ' LEU . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.666 HG21 ' HG2' ' A' ' 16' ' ' GLN . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 34' ' ' ILE . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 40' ' ' ILE . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.832 ' C ' HG23 ' A' ' 50' ' ' VAL . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.529 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.832 HG23 ' C ' ' A' ' 43' ' ' THR . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.587 ' H ' HD21 ' A' ' 23' ' ' LEU . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.604 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.578 ' N ' HG22 ' A' ' 5' ' ' ILE . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 34' ' ' ILE . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.825 ' CG ' HD11 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.433 HG23 ' CD1' ' A' ' 10' ' ' TYR . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' ' 7' ' ' LEU . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' HD11 ' A' ' 40' ' ' ILE . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 41' ' ' PHE . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 40' ' ' ILE . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.825 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 42' ' ' LEU . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.911 0.386 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.555 ' N ' HG22 ' A' ' 5' ' ' ILE . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.833 ' CG ' HD11 ' A' ' 42' ' ' LEU . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 30' ' ' ILE . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.833 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.793 0.33 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 30' ' ' ILE . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.944 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.629 HG23 HD11 ' A' ' 7' ' ' LEU . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' ILE . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.944 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 5' ' ' ILE . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 42' ' ' LEU . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 53' ' ' GLU . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.999 0.428 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.893 ' HA ' HD11 ' A' ' 42' ' ' LEU . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.774 ' CD1' HG23 ' A' ' 19' ' ' THR . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG2' ' A' ' 16' ' ' GLN . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.774 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 34' ' ' ILE . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.5 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.71 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.991 0.424 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.544 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 5' ' ' ILE . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.823 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 1.015 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.661 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 50' ' ' VAL . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -62.73 167.69 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.563 ' OE1' HD12 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.15 37.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -101.1 85.75 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 6' ' ' THR . 8.7 mt -79.59 163.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.426 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.9 OUTLIER -85.28 147.85 26.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.776 179.818 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.8 tp -56.07 -32.36 64.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tttp -70.8 -52.63 19.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -59.15 -56.88 16.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.176 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.883 ' CG ' HD11 ' A' ' 42' ' ' LEU . 5.7 t80 -57.06 -40.02 76.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.272 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.12 59.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.316 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtp -73.67 -23.36 59.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.426 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.2 ttt85 -83.13 -69.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.324 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -79.93 -29.71 39.83 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.506 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.15 169.41 13.74 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -88.83 -28.56 20.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 89.1 m -79.81 -46.81 16.24 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.6 tttp -59.33 -34.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.741 HG22 HD13 ' A' ' 23' ' ' LEU . 11.4 m -73.82 -54.13 8.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.945 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.44 61.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -49.0 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.952 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.473 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -67.66 -31.46 71.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.017 -179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.741 HD13 HG22 ' A' ' 19' ' ' THR . 0.8 OUTLIER -80.04 -28.68 39.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.936 -179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.75 27.42 29.32 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.183 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG21 HD11 ' A' ' 30' ' ' ILE . 13.6 m -115.46 -179.17 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.883 0.373 . . . . 0.0 111.041 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -98.87 143.48 29.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.777 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -58.5 -21.28 51.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -65.11 -41.77 94.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.13 -36.44 74.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.561 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 29.3 mm -61.21 -46.55 96.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.911 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -36.51 82.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -72.72 -26.99 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.257 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.561 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.6 m0 -69.58 -45.11 69.41 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.458 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -82.31 -25.06 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -29.65 70.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.973 0.416 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.16 7.37 25.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.704 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.09 49.59 76.62 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.512 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.87 112.31 15.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.732 0.301 . . . . 0.0 110.853 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -64.1 116.26 5.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.1 mt -147.88 160.84 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.137 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 91.1 m-85 -143.86 116.4 8.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.966 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.883 HD11 ' CG ' ' A' ' 10' ' ' TYR . 1.7 pt? -96.18 129.46 43.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.461 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.413 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 4.2 m -100.35 136.58 40.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.312 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.563 HD12 ' OE1' ' A' ' 3' ' ' GLN . 28.1 mt -91.03 130.59 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.049 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -88.94 175.7 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.04 4.26 50.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.455 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.97 -20.38 13.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.908 0.385 . . . . 0.0 111.086 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.59 8.28 12.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.15 169.75 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.711 0.291 . . . . 0.0 110.908 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.879 HG11 HD12 ' A' ' 42' ' ' LEU . 1.4 t -150.54 134.3 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.047 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 39.9 p90 -126.31 131.07 51.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -80.88 119.12 23.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.26 131.61 41.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -101.22 140.09 36.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 56' ' ' LYS . 20.7 t -79.96 155.14 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.147 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.7 mtmp? -120.62 79.77 30.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -57.27 -161.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.641 2.227 . . . . 0.0 112.2 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.88 127.62 66.51 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.747 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.12 84.86 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.404 2.069 . . . . 0.0 112.296 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 88.5 p -95.96 -59.0 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -107.12 167.95 9.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.03 25.66 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -104.09 168.08 9.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.811 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.95 118.87 9.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -58.36 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.272 -0.871 . . . . 0.0 111.083 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 ttm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.866 0.365 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.62 87.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -97.82 39.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.3 mtt85 -90.69 104.49 17.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.054 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.682 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.03 -174.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.381 179.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.682 ' H ' HG22 ' A' ' 5' ' ' ILE . 67.0 p -90.77 155.41 18.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.977 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.537 HD21 ' HE3' ' A' ' 33' ' ' TRP . 35.2 tp -76.64 -32.8 58.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.836 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 tttm -68.24 -37.09 80.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.93 -44.74 60.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.048 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.855 ' OH ' HG21 ' A' ' 50' ' ' VAL . 7.8 t80 -57.19 -27.14 61.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.0 -51.91 5.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -23.28 64.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.329 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -88.74 -67.46 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -80.43 -42.13 23.26 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.783 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.22 147.09 7.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.564 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.94 -28.45 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 0.0 111.14 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.1 m -58.55 -61.52 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.239 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -32.9 73.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.44 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.642 ' O ' HD13 ' A' ' 23' ' ' LEU . 1.8 m -65.78 -33.48 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.021 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.775 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -90.02 -17.28 28.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.49 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.03 -56.64 3.15 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.3 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.2 -39.19 78.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.163 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.725 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.9 mp -80.13 -39.26 29.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.999 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.32 44.23 2.22 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.438 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.775 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.0 m -137.87 -178.89 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.38 153.59 19.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -61.43 -19.01 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.056 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -64.35 -42.86 96.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.932 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.19 63.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD11 ' CG2' ' A' ' 25' ' ' VAL . 33.9 mm -60.33 -50.87 78.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -61.26 -32.62 72.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.813 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -72.86 -29.5 63.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.537 ' HE3' HD21 ' A' ' 7' ' ' LEU . 46.8 m0 -68.44 -49.27 61.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.181 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.5 mt -77.95 -25.5 14.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.994 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -29.61 68.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.044 0.45 . . . . 0.0 111.029 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.4 7.16 20.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.592 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.77 51.78 43.8 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.527 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -71.11 111.35 6.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.782 0.325 . . . . 0.0 110.826 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpt -68.23 76.41 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.508 HG22 ' N ' ' A' ' 41' ' ' PHE . 44.3 mt -112.56 159.06 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.508 ' N ' HG22 ' A' ' 40' ' ' ILE . 69.3 m-85 -142.54 123.73 14.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.734 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.98 152.65 18.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.048 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 8.0 m -116.25 117.22 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.77 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.527 HD12 HD11 ' A' ' 5' ' ' ILE . 41.3 mt -89.09 112.75 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -79.99 173.58 12.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.96 5.0 30.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.583 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.08 -18.94 13.87 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.678 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.51 13.66 14.32 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 121.375 -0.44 . . . . 0.0 112.455 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.14 127.95 48.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.845 0.355 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.855 HG21 ' OH ' ' A' ' 10' ' ' TYR . 2.1 t -119.66 125.6 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 52.3 p90 -125.54 130.23 51.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.725 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -84.49 118.65 24.43 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.329 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -97.17 129.55 44.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.765 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.58 131.82 38.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 15.5 t -79.89 149.16 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -116.74 86.75 19.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.034 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.34 160.81 18.55 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.15 . . . . 0.0 112.145 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.402 ' CB ' ' CD ' ' A' ' 59' ' ' PRO . 0.4 OUTLIER -75.56 -60.26 1.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.903 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.402 ' CD ' ' CB ' ' A' ' 58' ' ' ASP . 73.4 Cg_endo -76.0 59.71 5.93 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.591 2.194 . . . . 0.0 112.252 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 65.1 m -73.71 -20.65 60.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -79.73 170.45 16.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.884 0.373 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -168.79 1.75 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.969 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 138.24 37.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -101.85 53.54 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.56 -41.57 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.146 -0.93 . . . . 0.0 111.057 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mmt . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -126.06 142.01 51.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.753 ' OE1' HD11 ' A' ' 5' ' ' ILE . 3.1 mm-40 -120.36 41.7 3.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.768 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.75 78.65 7.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.753 HD11 ' OE1' ' A' ' 3' ' ' GLN . 5.1 mt -79.62 164.11 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.546 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -77.76 148.6 34.76 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.746 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.674 ' HA ' HD11 ' A' ' 42' ' ' LEU . 21.3 tp -62.89 -41.83 99.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -35.71 73.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.965 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.28 -54.94 9.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.558 ' OH ' HG21 ' A' ' 50' ' ' VAL . 6.1 t80 -58.13 -32.64 68.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.105 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.85 -41.68 67.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.34 -23.62 34.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.435 ' HD2' ' CE2' ' A' ' 14' ' ' PHE . 1.3 ttm180 -85.46 -69.43 0.66 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 77.5 m-85 -80.01 -37.34 34.33 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.496 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.99 132.78 4.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.515 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -55.78 -30.03 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 111.02 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -68.38 -47.27 67.82 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -67.28 -34.85 78.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.097 0.475 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.842 HG22 ' CD1' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -59.73 -52.85 63.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.958 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.84 -30.53 67.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -40.67 65.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.16 -30.55 38.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.842 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.7 OUTLIER -80.07 -43.29 22.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.852 -179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.98 29.08 5.64 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.58 -0.819 . . . . 0.0 112.622 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.5 m -129.26 -179.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.847 0.356 . . . . 0.0 111.108 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -91.51 139.89 30.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -55.11 -23.58 21.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.119 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 p -62.6 -30.49 71.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -77.49 -38.93 48.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 30' ' ' ILE . 2.0 mp -64.42 -31.24 52.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.435 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -45.41 70.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.775 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mmtp -71.41 -26.32 62.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.2 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.428 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 45.2 m0 -67.5 -45.52 75.56 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.42 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.7 mt -82.71 -28.44 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -56.37 15.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.27 0.557 . . . . 0.0 110.983 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.9 -19.43 65.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.369 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 91.31 28.12 15.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -65.3 112.13 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.37 106.42 5.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.907 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.542 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.9 mt -129.11 159.9 40.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.99 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.3 m-85 -139.19 115.0 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.745 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.09 147.0 23.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.743 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.8 m -109.36 124.85 51.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.018 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 5' ' ' ILE . 27.7 mt -84.18 125.87 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -86.24 170.66 11.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -81.55 -1.03 44.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.622 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.93 -20.47 13.42 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.603 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.27 8.08 11.78 Favored Glycine 0 C--N 1.32 -0.336 0 C-N-CA 121.387 -0.435 . . . . 0.0 112.752 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.32 143.68 26.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 0.0 110.758 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.737 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.3 t -130.92 131.89 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.004 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.5 p90 -127.8 131.19 49.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.998 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.542 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -85.23 127.05 34.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -117.25 171.0 8.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.22 108.75 13.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 55' ' ' VAL . 7.3 p -94.23 80.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.042 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.27 134.12 6.99 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.779 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.22 144.54 46.67 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.431 2.087 . . . . 0.0 112.42 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -161.87 132.79 3.72 Favored Pre-proline 0 C--N 1.327 -0.389 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.08 87.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.396 2.064 . . . . 0.0 112.199 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.4 p -104.23 -31.35 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.53 163.23 13.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -148.75 61.71 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -117.67 174.31 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -126.6 179.42 5.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.832 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.478 ' H ' HG22 ' A' ' 64' ' ' THR . 35.2 p -148.04 32.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.828 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.176 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.741 0.305 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 61.42 169.24 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.046 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -147.96 39.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.7 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.812 ' HG2' HG23 ' A' ' 43' ' ' THR . 39.9 mtt85 -118.62 85.29 2.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.236 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -79.45 168.94 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.628 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.589 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -75.33 149.91 38.59 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.99 -179.794 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 HD12 HD11 ' A' ' 42' ' ' LEU . 21.1 tp -61.05 -41.82 97.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -57.9 -53.22 60.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.748 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -60.72 -32.31 71.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.757 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.682 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -61.12 -44.6 97.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.149 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.474 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -71.27 -40.74 70.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.361 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.7 mtm -76.76 -25.93 53.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.455 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -90.15 -69.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.509 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -79.92 -41.95 25.06 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.813 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.3 144.47 6.6 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.532 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.48 ' HG2' HG21 ' A' ' 30' ' ' ILE . 7.1 mt-30 -60.63 -41.01 94.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.784 0.326 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 62.7 m -58.87 -53.6 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.65 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.165 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.9 m -59.7 -45.99 90.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.031 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.838 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -83.57 -34.44 25.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.26 -29.37 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.448 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -88.86 -32.82 17.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.074 0.464 . . . . 0.0 111.056 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.98 -38.03 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 109.14 30.61 3.58 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.211 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.838 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 14.4 m -134.85 -177.99 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.342 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -100.86 158.15 16.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.787 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -62.43 -18.36 61.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HD2' ' A' ' 32' ' ' LYS . 39.1 p -64.86 -14.34 59.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.487 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -99.83 -36.29 9.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.713 0.292 . . . . 0.0 111.204 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.543 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.6 mp -65.47 -30.18 49.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -68.29 -44.61 75.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.1 OUTLIER -67.99 -27.28 66.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.301 -179.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.426 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 53.7 m0 -69.43 -50.81 42.29 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.3 mt -78.36 -22.46 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.092 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.27 -29.04 70.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.99 0.424 . . . . 0.0 111.076 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.23 6.4 24.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.624 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.88 51.65 51.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.771 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.32 113.17 14.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.775 0.321 . . . . 0.0 110.753 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.04 87.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.086 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.912 HG21 ' HB1' ' A' ' 52' ' ' ALA . 23.4 mt -117.38 161.26 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.0 m-85 -142.61 112.95 7.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.186 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 10' ' ' TYR . 4.9 mp -80.04 131.8 35.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.249 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.812 HG23 ' HG2' ' A' ' 4' ' ' ARG . 0.2 OUTLIER -106.8 121.35 44.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.5 179.543 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.5 mt -88.78 115.83 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.89 173.93 12.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.56 6.96 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.539 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.61 -17.68 14.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.614 0.245 . . . . 0.0 110.789 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.76 12.79 15.53 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.224 -0.513 . . . . 0.0 112.503 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.37 167.73 10.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.71 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.448 HG23 ' HB3' ' A' ' 22' ' ' ASP . 2.1 t -150.23 137.68 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 51' ' ' TYR . 31.8 p90 -137.23 131.6 32.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.912 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -98.44 126.04 43.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -127.54 163.77 23.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.961 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.55 133.7 43.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.66 131.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptpp? -126.88 154.74 76.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.77 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -57.87 133.96 59.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.596 2.197 . . . . 0.0 112.283 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' SER . 3.7 t0 -59.93 115.58 13.54 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -65.31 65.15 0.34 Allowed 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.615 2.21 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 58' ' ' ASP . 2.0 m 56.03 89.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -98.67 153.14 18.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.708 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 120.28 27.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -97.79 -31.76 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.437 HG22 ' H ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -103.81 -174.04 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.437 ' H ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -120.76 117.25 26.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.027 -179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mmm . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 62.11 65.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.025 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.15 44.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.645 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.445 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 8.2 ptp180 -116.63 86.43 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.054 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.623 HG22 ' H ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -79.46 170.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 -179.842 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.623 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.5 OUTLIER -71.52 154.31 41.57 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.091 -179.847 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.38 -44.64 78.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -38.08 71.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.824 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.83 -35.04 67.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.732 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.505 ' CE2' HD22 ' A' ' 42' ' ' LEU . 2.2 t80 -58.45 -51.81 68.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.288 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.02 -56.09 26.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.511 -179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.0 mtm -65.96 -23.49 66.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.596 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -90.06 -72.49 0.56 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.742 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -79.79 -41.15 27.12 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.854 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 121.48 143.81 6.73 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.452 -0.88 . . . . 0.0 112.531 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -60.88 -31.49 70.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 52.0 m -66.25 -55.34 16.65 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -39.62 84.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.3 m -58.69 -52.14 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.039 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.55 -27.92 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.386 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -81.15 -39.4 25.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.181 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.35 -39.81 81.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.962 0.41 . . . . 0.0 111.052 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.95 -44.18 20.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.965 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 108.87 27.79 4.74 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.7 m -118.95 -178.45 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.011 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -91.6 144.41 25.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -55.84 -23.43 30.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.204 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.38 -41.82 98.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -36.19 81.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.434 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 27.2 mm -61.92 -47.16 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.935 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -63.31 -35.85 81.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -28.86 61.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.434 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 39.3 m0 -69.56 -48.45 60.25 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.166 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.5 mt -77.7 -25.76 14.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.009 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -59.8 -29.1 67.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.03 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.81 7.41 20.16 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.57 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.44 43.9 97.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.528 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.11 119.93 14.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 0.0 110.858 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 105.05 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.657 HG21 ' HB1' ' A' ' 52' ' ' ALA . 33.2 mt -141.71 157.03 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HE1' HG11 ' A' ' 55' ' ' VAL . 86.6 m-85 -145.52 116.02 7.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.9 mp -79.72 123.23 27.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.371 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 116.64 32.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.421 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.33 119.55 35.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -83.85 166.67 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.91 -9.92 59.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.377 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -20.17 29.89 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.49 16.37 13.28 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.27 172.04 7.02 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 120.754 0.311 . . . . 0.0 110.497 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.4 t -149.83 136.05 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.156 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.4 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 43.7 p90 -131.62 128.02 38.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -94.32 111.07 22.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.034 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.6 pm0 -104.67 162.79 12.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.86 119.06 35.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.58 HG11 ' HE1' ' A' ' 41' ' ' PHE . 8.5 p -82.95 146.65 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.083 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.68 107.26 59.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.68 143.39 61.86 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.408 2.072 . . . . 0.0 112.221 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -103.35 92.56 4.03 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.32 67.57 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.515 2.143 . . . . 0.0 112.238 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 39.2 t -77.28 -51.12 11.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -107.85 117.78 35.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.89 -61.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.1 155.49 48.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.509 HG23 ' O ' ' A' ' 64' ' ' THR . 5.2 t -150.95 95.95 2.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -124.82 31.79 5.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.824 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.242 -0.885 . . . . 0.0 111.076 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttm . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.807 0.337 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -62.7 140.13 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.516 HE22 HD11 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -98.48 37.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.734 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -93.73 78.86 4.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.024 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.537 HG22 ' N ' ' A' ' 6' ' ' THR . 3.0 mt -79.48 165.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.191 0.519 . . . . 0.0 111.39 -179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.817 HG23 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -87.07 144.48 26.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.748 179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD23 HG13 ' A' ' 34' ' ' ILE . 20.0 tp -57.37 -37.16 72.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -61.82 -30.7 71.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.99 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.4 -47.51 12.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 14' ' ' PHE . 5.3 t80 -58.68 -36.51 74.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.996 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.599 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -70.49 -53.53 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.188 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.94 -24.99 63.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.274 -179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -90.08 -63.84 1.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.263 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.8 m-85 -91.94 22.56 4.19 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.761 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.72 149.94 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 3.8 mp0 -67.62 -29.89 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.9 m -63.88 -55.73 20.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.09 -31.8 69.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.7 m -59.98 -47.2 86.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -73.85 -28.59 61.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.289 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -75.27 -42.99 53.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.71 -35.82 79.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.904 -179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -80.78 -69.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.029 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.38 -25.03 0.77 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.642 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.3 m -79.92 179.9 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 111.077 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.88 174.27 6.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.9 mp0 -69.17 -23.25 63.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.2 m -64.9 -30.71 71.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.24 -43.25 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.221 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.422 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 33.3 mm -57.91 -50.67 77.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.781 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -60.73 -36.0 77.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.296 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.063 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.422 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.7 m0 -69.38 -47.79 63.16 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.238 -179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 HG13 HD23 ' A' ' 7' ' ' LEU . 4.1 mt -78.77 -21.09 12.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 179.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.15 -35.4 76.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.095 0.474 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -99.26 -17.55 18.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.506 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.0 27.21 14.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.634 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 -66.34 102.83 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.823 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.19 124.87 21.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.95 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.7 mt -150.71 158.48 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.817 ' CE2' HG23 ' A' ' 6' ' ' THR . 73.9 m-85 -142.59 116.52 9.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.698 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.762 ' H ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -90.47 153.55 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.11 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 m -115.32 116.76 28.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.68 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.3 mt -87.37 116.25 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.196 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -87.49 172.64 9.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.74 6.04 33.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.369 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.55 -18.52 13.82 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.819 0.342 . . . . 0.0 111.075 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.98 13.64 15.44 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.438 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.37 123.02 46.66 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.583 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.627 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.5 t -117.65 118.87 59.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -116.27 142.74 46.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.644 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -104.31 157.61 17.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.252 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.9 pt-20 -156.51 163.84 38.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.783 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -113.84 144.25 43.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.2 t -108.55 140.37 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.044 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.13 127.18 23.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.95 -168.23 0.36 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.355 2.037 . . . . 0.0 112.374 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.86 148.98 49.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.29 95.67 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.493 2.129 . . . . 0.0 112.285 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.71 -40.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -90.9 82.4 5.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.6 mtpp -127.09 38.59 4.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.29 44.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.6 p -79.92 152.4 29.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.9 m -95.08 -32.58 13.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.193 -0.908 . . . . 0.0 111.073 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ttm . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -72.75 140.32 47.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.0 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -130.62 37.68 3.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -91.55 105.68 17.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.983 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.672 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -108.51 -175.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.539 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.672 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.59 147.8 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.977 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 22.6 tp -69.92 -36.87 75.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.579 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -64.44 -34.2 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.808 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -77.71 -47.76 18.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.828 ' CD1' HG23 ' A' ' 19' ' ' THR . 17.3 t80 -62.0 -18.14 59.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.295 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.39 -47.53 7.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.71 0.29 . . . . 0.0 111.586 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -83.69 -24.76 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.801 -179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -58.85 2.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.333 -179.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 10' ' ' TYR . 4.8 m-85 -79.96 -39.87 29.24 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.226 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.4 163.92 10.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.326 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -90.16 -31.05 17.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 111.043 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 93.7 m -78.01 -44.86 25.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.991 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -54.69 -45.49 73.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.287 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.828 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -61.08 -53.26 59.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.077 -179.762 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -57.23 -36.42 70.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.425 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -29.85 49.19 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.73 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -83.96 -33.32 24.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.833 0.349 . . . . 0.0 111.07 -179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.588 ' CD1' HG22 ' A' ' 19' ' ' THR . 0.1 OUTLIER -79.96 -25.85 40.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.087 -179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.21 26.22 12.76 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.15 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 12.5 m -134.19 -179.48 3.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 0.0 110.964 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -94.22 174.06 7.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.781 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.19 -19.83 62.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.82 -50.04 73.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -43.52 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.543 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 32.1 mm -59.03 -47.0 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -63.91 -34.52 78.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.95 -28.04 61.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.253 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.543 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 40.5 m0 -68.06 -45.74 73.01 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.316 -179.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -79.34 -29.24 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.048 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -58.94 5.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.273 0.559 . . . . 0.0 110.899 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.21 -17.78 62.81 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.409 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.39 37.08 18.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.536 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.555 ' HD2' HD11 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -88.22 110.28 20.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.863 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 126.94 29.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.778 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.733 ' CG2' ' HB1' ' A' ' 52' ' ' ALA . 40.6 mt -146.52 158.44 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.266 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' N ' HG22 ' A' ' 40' ' ' ILE . 24.6 m-85 -139.39 129.06 24.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.639 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.719 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -94.44 154.46 17.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.959 0.409 . . . . 0.0 111.054 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.6 m -122.08 110.19 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.651 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.5 mt -83.58 106.74 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.9 m-20 -79.85 176.03 10.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.839 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.04 7.65 30.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.461 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.54 -16.26 14.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.739 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 17.11 14.58 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.153 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.84 120.34 41.77 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.011 0.434 . . . . 0.0 110.501 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.6 t -110.12 112.94 42.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.93 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -115.04 142.95 45.95 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.733 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -99.69 122.4 42.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 -179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.3 170.21 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.721 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -107.9 149.78 27.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 56' ' ' LYS . 16.9 t -126.06 160.62 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.492 ' N ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -79.81 159.79 70.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.957 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -47.44 137.26 19.55 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.767 2.311 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -63.14 155.94 70.95 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.174 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.66 61.63 3.66 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 m -155.25 -66.56 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -128.6 136.21 50.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -86.89 -52.57 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.822 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.18 171.32 14.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.6 t -145.3 91.52 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.4 m -102.82 148.32 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.299 -0.858 . . . . 0.0 111.049 -179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtm . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.788 0.328 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.22 -169.79 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.466 ' OE1' HD11 ' A' ' 5' ' ' ILE . 1.8 mm-40 -126.12 39.73 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.71 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -79.8 102.72 9.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.268 0.556 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.66 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -109.12 -174.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.476 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.66 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -90.62 154.38 19.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.034 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.744 ' HA ' HD11 ' A' ' 42' ' ' LEU . 61.2 tp -73.11 -38.28 66.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.678 179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -65.87 -44.2 86.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.47 -47.28 86.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.052 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -59.46 -31.8 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.682 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -73.29 -45.88 53.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -25.88 50.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.301 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 -70.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.507 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -81.09 -41.32 22.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.709 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.19 140.79 5.62 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.426 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.682 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.5 mt-30 -59.15 -30.4 68.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.825 0.345 . . . . 0.0 110.975 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 65.4 m -65.5 -50.27 65.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -64.34 -35.83 82.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.137 0.494 . . . . 0.0 111.442 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.723 HG22 HD13 ' A' ' 23' ' ' LEU . 1.3 m -58.77 -50.8 72.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -63.56 -33.48 75.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.179 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -77.15 -39.8 47.85 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' OD2' HG21 ' A' ' 50' ' ' VAL . 4.1 m-20 -72.06 -38.76 69.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.785 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.2 mp -80.07 -27.99 39.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.98 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.61 27.36 13.07 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.489 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.624 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 7.3 m -125.39 -178.45 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.015 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pm0 -94.14 145.7 24.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.684 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -55.72 -23.41 28.81 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.19 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -62.22 -48.76 78.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.84 99.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.566 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.3 mm -59.77 -46.52 93.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.735 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -37.52 87.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.723 179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 mmtp -70.47 -28.34 64.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.191 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.566 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 41.6 m0 -68.27 -44.29 75.9 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.315 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 21.4 mt -81.89 -23.68 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.28 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -33.95 69.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.029 0.442 . . . . 0.0 110.942 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.63 20.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.67 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.22 52.77 41.32 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.582 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -78.23 112.05 14.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -59.34 114.86 2.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.1 mt -150.83 158.31 5.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.055 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' N ' HG22 ' A' ' 40' ' ' ILE . 46.2 m-85 -144.41 128.7 17.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -99.72 156.56 17.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 111.001 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -118.45 104.21 10.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD12 HD11 ' A' ' 5' ' ' ILE . 34.1 mt -82.9 114.19 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -83.05 174.3 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -84.15 3.32 35.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.525 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.37 -18.22 13.8 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.51 11.21 11.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.086 -0.578 . . . . 0.0 112.406 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.78 121.49 35.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.926 0.393 . . . . 0.0 110.618 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.2 t -121.75 103.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -105.77 143.1 34.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -94.49 163.3 13.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.212 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -159.22 177.16 11.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.804 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -124.75 134.37 52.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.816 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 55' ' ' VAL . 10.8 p -157.74 109.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.23 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -150.6 78.83 7.46 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.56 137.95 26.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.623 2.215 . . . . 0.0 112.384 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.1 t0 49.39 71.65 1.51 Allowed Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.168 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.12 86.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.653 2.235 . . . . 0.0 112.218 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.2 p -162.73 86.53 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -126.39 143.88 51.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.13 -43.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.028 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.34 119.95 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.0 t -131.95 135.54 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 29.1 p -108.03 119.01 38.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.062 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.739 0.304 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -91.79 101.77 14.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.468 ' HG2' HD12 ' A' ' 44' ' ' ILE . 1.4 tt0 -137.77 41.73 2.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.963 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -89.92 99.51 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.683 HG22 ' H ' ' A' ' 6' ' ' THR . 1.1 mt -104.03 -175.92 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.21 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.683 ' H ' HG22 ' A' ' 5' ' ' ILE . 24.1 p -90.79 164.37 14.11 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.835 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 33' ' ' TRP . 13.5 tp -81.52 -35.61 30.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.791 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HG2' ' HE3' ' A' ' 12' ' ' MET . 9.6 tttp -67.66 -45.62 74.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.68 -57.58 7.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.05 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.485 ' CD2' ' CD2' ' A' ' 14' ' ' PHE . 16.0 t80 -51.34 -36.04 41.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.465 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.45 -47.71 75.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.217 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HE3' ' HG2' ' A' ' 8' ' ' LYS . 1.6 mtm -79.63 -25.54 41.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.35 -179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.42 -64.11 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.043 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.485 ' CD2' ' CD2' ' A' ' 10' ' ' TYR . 98.9 m-85 -85.57 7.33 23.52 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.855 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.01 143.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.722 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -60.67 -30.08 69.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.766 0.317 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.9 m -58.23 -59.12 5.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -72.01 -31.45 66.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.3 m -68.69 -57.06 6.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.94 69.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -39.13 56.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -73.97 -33.49 63.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.939 0.4 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.436 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.7 OUTLIER -81.07 -29.58 34.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.864 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.48 28.43 19.56 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.808 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.1 m -126.88 -178.93 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.774 0.321 . . . . 0.0 111.108 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.71 143.19 27.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.773 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -54.56 -24.48 21.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.205 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 60.6 m -67.3 -31.24 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.408 ' O ' ' CG ' ' A' ' 33' ' ' TRP . . . -68.32 -39.45 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.537 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -64.8 -32.52 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.427 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -69.4 -43.79 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.78 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -72.88 -26.11 61.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.574 ' HE3' HD21 ' A' ' 7' ' ' LEU . 41.3 m0 -68.47 -48.64 63.96 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.278 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.3 mt -79.9 -26.3 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -36.39 79.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.087 0.47 . . . . 0.0 111.05 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -98.16 7.59 46.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.671 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.79 27.06 71.56 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.631 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -68.12 104.13 1.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.89 131.27 50.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.059 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 41' ' ' PHE . 28.8 mt -155.89 156.69 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.483 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.0 m-85 -145.74 126.42 14.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -95.77 157.12 16.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.783 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' CZ ' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -124.77 119.31 28.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.814 179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.468 HD12 ' HG2' ' A' ' 3' ' ' GLN . 15.1 mt -85.17 118.22 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -79.89 165.3 22.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.68 -6.07 46.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.436 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.6 -18.18 19.92 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 120.817 0.341 . . . . 0.0 111.073 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.22 9.44 13.25 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.521 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.45 158.73 18.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.845 0.355 . . . . 0.0 110.622 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.407 HG11 ' CZ ' ' A' ' 10' ' ' TYR . 1.5 t -149.97 103.64 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' CZ ' ' OG1' ' A' ' 43' ' ' THR . 29.2 p90 -101.79 -173.92 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.774 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -134.71 149.12 50.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.228 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.75 176.09 9.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -127.05 148.16 50.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.69 80.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.21 96.2 6.54 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.84 174.48 8.62 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.524 2.15 . . . . 0.0 112.228 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -160.26 79.07 2.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.68 86.84 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 0.0 112.288 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.1 p -148.73 78.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -125.75 137.96 53.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -131.22 -67.81 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -108.18 142.98 37.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 t -105.12 121.3 43.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 p -119.23 31.2 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.045 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.904 0.383 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.99 125.17 26.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -114.47 37.23 3.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.986 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.24 78.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.527 HG22 ' N ' ' A' ' 6' ' ' THR . 4.9 mt -79.22 162.22 3.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 CA-C-O 121.312 0.577 . . . . 0.0 111.564 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 41' ' ' PHE . 69.1 p -79.98 145.55 32.51 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.5 tp -55.96 -39.68 72.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.966 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.42 -43.54 98.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.818 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.6 -37.28 76.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HD1' ' HG1' ' A' ' 19' ' ' THR . 9.0 t80 -65.73 -39.56 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.88 -33.64 66.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.03 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.6 mtm -85.19 -25.53 27.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -90.09 -70.44 0.67 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.208 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -79.95 -31.14 39.99 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.489 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 120.03 143.85 7.03 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.593 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -31.54 72.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.0 m -70.41 -47.15 62.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -58.36 -31.22 67.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.296 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.427 ' HG1' ' HD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.87 -50.64 40.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -58.41 -31.98 68.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 -38.19 44.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.608 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.72 -39.93 56.51 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.967 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.83 -33.67 40.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.64 33.21 6.85 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.699 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.641 ' CG2' HD11 ' A' ' 30' ' ' ILE . 7.2 m -122.4 -179.36 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.356 . . . . 0.0 111.034 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -93.1 140.15 29.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.77 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -55.07 -24.02 23.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 -51.0 62.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.966 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.42 -34.9 73.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.192 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.641 HD11 ' CG2' ' A' ' 25' ' ' VAL . 32.5 mm -61.29 -50.5 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.71 -31.71 71.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.0 mmtt -74.59 -26.99 60.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.353 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.497 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.9 m0 -68.19 -49.08 63.21 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.325 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.2 mt -80.22 -25.41 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.13 68.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.53 -16.79 14.95 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.576 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 97.39 46.85 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.596 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.737 ' HG2' HD11 ' A' ' 40' ' ' ILE . 15.4 ttt180 -81.34 97.48 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -69.88 117.05 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.754 HG21 ' HB1' ' A' ' 52' ' ' ALA . 9.4 mt -142.81 163.69 17.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CE1' HG22 ' A' ' 6' ' ' THR . 99.6 m-85 -136.99 118.2 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -92.86 135.7 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.114 0.483 . . . . 0.0 111.356 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.32 114.98 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.377 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 31.2 mt -84.46 111.93 20.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -79.87 171.52 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.881 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -86.78 7.29 27.54 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.419 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.05 -15.27 15.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.85 13.38 18.41 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.315 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.52 161.0 13.9 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.913 0.387 . . . . 0.0 110.626 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.63 HG12 ' HB2' ' A' ' 42' ' ' LEU . 2.0 t -149.2 117.01 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.651 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -122.31 132.13 54.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 111.006 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.754 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -90.14 125.54 35.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.354 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -104.98 136.38 44.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.647 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -97.35 120.25 37.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.6 t -107.92 101.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.53 83.76 47.8 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.054 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -77.54 130.18 10.63 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.623 2.216 . . . . 0.0 112.24 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -159.55 99.91 1.53 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.6 61.54 3.61 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.469 2.113 . . . . 0.0 112.339 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.2 t -157.78 31.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.61 154.14 31.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.17 37.38 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -158.51 147.45 18.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.899 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 t -96.51 79.47 3.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 p -98.21 -66.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.044 180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.752 0.31 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 62.63 118.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.14 37.64 4.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.792 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HB3' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -113.86 99.02 7.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.946 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.665 HG22 ' H ' ' A' ' 6' ' ' THR . 0.8 OUTLIER -89.15 -169.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.166 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.665 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.6 OUTLIER -90.36 147.19 23.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.101 179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.655 HD12 HD11 ' A' ' 42' ' ' LEU . 16.3 tp -64.56 -43.98 92.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.74 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.82 -51.43 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.831 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.51 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.741 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.633 ' CG ' HD13 ' A' ' 42' ' ' LEU . 3.8 t80 -60.53 -48.9 79.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.002 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.01 -37.11 83.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.397 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -82.37 -25.87 33.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.389 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 ttm180 -90.06 -68.87 0.75 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.608 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' HE2' HD12 ' A' ' 5' ' ' ILE . 97.7 m-85 -82.18 -40.93 21.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.829 -179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.61 133.47 4.96 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.392 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -53.65 -28.19 31.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.591 0.234 . . . . 0.0 111.212 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.5 m -58.11 -65.39 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.86 -26.62 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.02 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -60.77 -42.55 97.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.197 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -88.98 -25.03 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.451 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -52.58 13.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.239 -179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.708 ' HB3' HG12 ' A' ' 50' ' ' VAL . 2.6 m-20 -63.3 -36.22 82.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.212 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 50' ' ' VAL . 0.1 OUTLIER -80.13 -45.89 17.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.012 -179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.61 36.83 2.94 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.59 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 6.2 m -124.12 179.89 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.828 0.347 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -88.2 133.6 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.767 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -54.1 -24.52 17.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.88 -30.98 72.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.35 76.53 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.7 mp -66.16 -31.63 54.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.364 179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t30 -69.05 -44.08 73.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -71.4 -26.15 62.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.435 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 44.5 m0 -67.16 -49.89 63.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.37 -179.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.3 mt -81.38 -25.19 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.227 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -28.43 64.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 111.074 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.77 -18.37 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.496 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.02 56.48 1.6 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -76.67 111.42 12.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.693 0.282 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 41' ' ' PHE . 4.8 tppt? -63.18 84.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.959 HG21 ' HB1' ' A' ' 52' ' ' ALA . 28.0 mt -121.68 161.27 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.3 m-85 -140.19 119.81 13.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD23 HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -79.83 106.03 11.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.804 -179.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 2.0 m -92.97 95.22 9.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.944 179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 6.5 mt -79.4 145.74 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -110.84 152.77 26.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.613 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -21.23 34.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.261 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -79.72 -23.04 42.61 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-O 121.185 0.517 . . . . 0.0 111.477 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.09 23.02 5.4 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.15 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.31 119.91 37.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.209 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.708 HG12 ' HB3' ' A' ' 22' ' ' ASP . 5.6 p -128.84 108.17 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.327 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.403 ' HA ' ' HG ' ' A' ' 23' ' ' LEU . 11.0 p90 -95.53 159.66 14.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.06 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.959 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -108.24 109.44 20.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.999 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.83 125.96 36.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.044 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.67 127.25 33.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -118.96 150.28 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttm -106.18 139.46 20.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.644 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.61 153.59 18.22 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.519 2.146 . . . . 0.0 112.137 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 52.25 65.16 6.52 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.74 88.78 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.491 2.128 . . . . 0.0 112.362 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.56 78.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -124.36 129.99 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -158.44 -45.59 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.19 81.26 1.71 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 171.85 10.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 t -94.16 -35.86 12.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.986 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.4 ttt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.65 159.01 19.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.74 39.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.753 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -80.83 80.42 7.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.601 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.2 mt -79.5 165.03 3.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.556 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -81.68 141.93 33.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.708 179.723 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD22 HD12 ' A' ' 40' ' ' ILE . 24.7 tp -55.37 -38.87 69.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.005 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.8 tttm -65.78 -37.67 86.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -72.5 -51.94 17.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.809 ' CG ' HD11 ' A' ' 42' ' ' LEU . 11.3 t80 -60.31 -32.89 71.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.74 -52.31 31.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.1 -23.63 57.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.153 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -89.21 -63.44 1.29 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.5 m-85 -92.59 21.88 5.1 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.644 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.7 156.4 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.385 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 0.2 OUTLIER -78.42 -30.45 47.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.767 0.318 . . . . 0.0 110.962 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.0 m -64.31 -50.7 66.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 tttp -59.84 -35.04 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.972 0.415 . . . . 0.0 111.162 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.6 HG22 HD13 ' A' ' 23' ' ' LEU . 2.1 m -62.59 -51.34 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.93 -28.66 69.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.57 -40.32 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -74.0 -33.28 63.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.939 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.696 HD21 ' HB2' ' A' ' 52' ' ' ALA . 1.4 mp -84.08 -31.85 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.61 28.11 22.71 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.74 -179.08 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.766 0.317 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -97.55 140.41 32.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -55.0 -23.94 21.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.326 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.5 p -61.42 -31.66 71.59 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.79 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -82.37 -39.08 23.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.052 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.463 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 31.8 mm -60.19 -49.2 85.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.735 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.69 -36.87 79.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.448 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -31.82 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.917 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 52.9 m0 -70.12 -47.01 63.6 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.991 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.5 mm -75.98 -26.91 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.992 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -31.31 69.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.53 4.24 17.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.616 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.38 41.08 87.21 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.653 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.19 122.54 19.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.715 0.293 . . . . 0.0 110.851 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 mttp -64.6 119.42 10.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.2 mt -145.11 159.43 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 86.4 m-85 -132.6 147.63 52.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.809 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -137.46 122.89 19.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.755 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.405 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 5.8 m -90.57 120.74 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -87.58 133.49 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.046 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 65.7 m-80 -96.04 161.82 13.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -3.07 41.8 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.488 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -93.86 -20.18 20.29 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.087 0.47 . . . . 0.0 111.229 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.45 11.23 12.03 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.597 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.58 158.56 16.15 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.855 0.359 . . . . 0.0 110.929 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.5 t -148.76 130.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.02 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.405 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 14.9 p90 -123.15 136.28 54.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.963 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.696 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -98.72 133.42 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -127.83 166.97 17.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.85 178.59 4.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.971 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.39 85.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.18 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.11 125.37 21.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.793 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.98 122.7 7.85 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.396 2.064 . . . . 0.0 112.372 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' CB ' ' HD3' ' A' ' 59' ' ' PRO . 0.1 OUTLIER -90.91 -58.41 0.24 Allowed Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' CB ' ' A' ' 58' ' ' ASP . 85.8 Cg_endo -82.03 71.73 6.53 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.537 2.158 . . . . 0.0 112.486 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -72.1 -59.15 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -149.32 84.88 1.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.766 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -122.1 128.86 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -92.23 159.57 15.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.7 m -146.9 134.57 21.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -144.38 147.43 33.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.048 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.825 0.345 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 60.64 170.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.1 36.72 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -99.5 108.66 21.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.633 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -106.01 -172.23 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.026 179.663 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.633 ' H ' HG22 ' A' ' 5' ' ' ILE . 32.6 p -90.82 154.18 19.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.831 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 34' ' ' ILE . 59.2 tp -65.67 -37.22 85.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' HE3' HG21 ' A' ' 34' ' ' ILE . 13.0 ttmt -62.91 -60.72 3.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -49.47 -33.78 15.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.984 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.603 ' CE2' HD22 ' A' ' 42' ' ' LEU . 1.4 t80 -62.92 -46.93 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.947 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -68.58 -29.86 68.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.294 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.6 mtm -85.78 -27.68 25.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.394 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' HD2' ' CZ ' ' A' ' 14' ' ' PHE . 9.6 ttm-85 -90.02 -70.19 0.68 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.379 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HD2' ' A' ' 13' ' ' ARG . 60.0 m-85 -79.95 -42.07 24.74 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.583 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 114.02 141.38 7.76 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.414 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 30.6 mt-30 -53.63 -30.05 40.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.834 0.35 . . . . 0.0 111.279 -179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 80.1 m -63.51 -48.52 77.23 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.222 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -9.44 58.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.488 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.62 -35.13 18.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.734 0.302 . . . . 0.0 111.081 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.742 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.58 -33.31 18.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.319 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -73.66 -29.94 62.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.22 -30.56 68.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.957 0.408 . . . . 0.0 111.109 179.853 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.42 -34.55 9.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 105.17 27.91 5.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.348 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.742 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.3 m -116.82 -178.77 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.151 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.9 144.71 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.721 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.8 -23.29 29.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.198 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.87 -35.63 80.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.541 HD12 ' N ' ' A' ' 30' ' ' ILE . 1.6 mp -65.02 -32.04 56.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.67 -41.67 71.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.72 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -72.84 -25.86 61.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.4 m0 -66.27 -45.12 81.61 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.395 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 HD11 ' HG ' ' A' ' 7' ' ' LEU . 19.3 mt -86.37 -25.83 6.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.126 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -37.67 85.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.124 0.488 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.88 -1.6 54.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.689 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.33 26.6 59.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.652 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -73.08 97.98 2.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 0.0 110.747 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.48 114.23 2.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.2 mt -138.63 150.52 23.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.438 ' HA ' ' O ' ' A' ' 5' ' ' ILE . 3.7 m-85 -131.35 121.48 24.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE2' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -84.26 116.08 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.049 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.534 HG21 ' OH ' ' A' ' 51' ' ' TYR . 19.0 m -102.71 108.76 20.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.778 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.7 mt -79.95 121.68 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.115 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -81.23 171.48 14.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.979 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.49 -9.02 58.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.546 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -18.94 14.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.107 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.31 5.82 14.22 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.36 131.62 34.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 110.955 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -117.53 99.86 9.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.071 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.534 ' OH ' HG21 ' A' ' 43' ' ' THR . 20.4 p90 -91.74 132.5 36.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.724 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.45 133.58 34.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.259 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -119.93 173.61 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.693 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.95 130.88 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.1 t -84.64 151.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.035 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 ttmm -80.16 135.52 54.45 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.798 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.16 -169.31 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.492 2.128 . . . . 0.0 112.211 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.15 166.79 12.73 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -67.96 87.31 0.38 Allowed 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.492 2.128 . . . . 0.0 112.278 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -90.19 54.18 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -79.95 164.99 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.89 150.99 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.03 164.43 33.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 73.0 p -94.01 147.21 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.2 p -131.91 131.11 42.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.05 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.873 0.368 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -82.08 157.84 23.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.774 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.97 37.23 0.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.7 mtt180 -87.72 78.19 8.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.987 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.557 HG22 ' N ' ' A' ' 6' ' ' THR . 5.6 mt -79.39 164.05 3.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.333 0.587 . . . . 0.0 111.456 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.557 ' N ' HG22 ' A' ' 5' ' ' ILE . 1.1 p -86.25 143.79 27.76 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.837 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.7 tp -57.81 -34.48 69.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -63.22 -36.43 83.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -80.51 -52.81 7.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.769 ' CD2' HD11 ' A' ' 42' ' ' LEU . 23.7 t80 -58.0 -31.58 67.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.002 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.52 40.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.01 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -76.2 -23.91 54.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.04 -60.67 1.87 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 90.2 m-85 -94.04 23.49 4.92 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.516 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 172.14 1.03 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -89.4 -41.15 12.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 m -59.58 -48.71 80.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.79 -39.5 81.26 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.785 -179.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -59.29 -52.67 64.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -67.23 -28.92 68.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.0 tttp -76.13 -42.65 46.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.547 ' HB3' HG23 ' A' ' 50' ' ' VAL . 2.8 m-20 -70.48 -31.51 68.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -84.18 -61.67 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.746 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.91 -28.99 1.14 Allowed Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.804 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 11.7 m -80.06 -179.63 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.798 0.333 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -104.04 172.32 6.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -62.68 -19.64 64.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.5 m -59.76 -30.96 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.52 -39.12 17.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.081 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.485 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.0 mm -59.92 -46.59 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.815 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -61.31 -39.13 89.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.64 -32.24 73.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.103 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.485 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 51.8 m0 -69.64 -47.5 63.16 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.191 -179.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mt -77.84 -23.0 13.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.991 179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.86 -29.54 70.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.027 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -18.71 13.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.494 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.14 30.96 26.92 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.512 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ttt85 -60.1 119.43 7.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.97 109.55 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 41' ' ' PHE . 24.1 mt -135.02 160.13 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' N ' HG22 ' A' ' 40' ' ' ILE . 90.4 m-85 -140.68 119.34 12.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.996 HD12 HG11 ' A' ' 50' ' ' VAL . 2.4 pt? -103.23 136.31 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.958 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.28 122.89 45.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.3 mt -83.47 128.49 38.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -87.01 167.95 13.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.43 7.55 32.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.53 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.4 -20.14 13.22 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.992 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.89 7.62 11.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.732 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.16 164.34 11.89 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.743 0.306 . . . . 0.0 110.747 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.996 HG11 HD12 ' A' ' 42' ' ' LEU . 2.4 t -146.88 151.59 13.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -142.52 127.1 17.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' HB2' HD11 ' A' ' 23' ' ' LEU . . . -81.27 124.42 29.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -105.78 155.32 19.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.09 147.47 32.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.2 t -79.95 86.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.7 tttm -139.84 107.31 6.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -49.33 134.67 31.64 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.482 2.122 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -103.06 93.48 4.55 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.36 78.44 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.385 2.057 . . . . 0.0 112.254 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -95.89 -58.82 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -88.37 54.42 3.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.8 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -146.17 -48.13 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -150.03 174.69 12.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.8 m -147.27 89.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -116.58 -50.06 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.095 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.861 0.363 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -109.48 81.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.488 ' H ' HG23 ' A' ' 43' ' ' THR . 2.4 mp0 -123.71 39.8 3.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.756 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.68 106.55 11.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.941 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.661 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -101.37 -173.83 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.384 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.661 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.76 151.3 21.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.811 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 tp -69.59 -33.8 73.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.644 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.86 -49.56 57.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.55 -60.53 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.901 ' CD2' HD11 ' A' ' 42' ' ' LEU . 5.4 t80 -53.28 -39.73 64.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.043 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.98 -51.82 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.155 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.56 -23.59 65.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.393 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.97 -69.44 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.459 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 62.5 m-85 -79.97 1.14 28.58 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.23 153.51 1.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.389 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.666 ' HG2' HG21 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -58.41 -29.46 66.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 0.0 110.988 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.471 HG22 ' HD2' ' A' ' 21' ' ' LYS . 69.4 m -61.68 -62.78 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -59.35 -33.84 71.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' CE1' ' A' ' 10' ' ' TYR . 10.5 m -61.11 -42.17 98.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.76 -15.69 36.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.524 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' HD2' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -83.33 -41.24 18.47 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.287 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.721 ' HB3' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -76.55 -33.62 58.53 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.0 0.429 . . . . 0.0 111.127 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.587 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.96 -30.59 39.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.054 -179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.43 28.77 23.83 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.816 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' ' 23' ' ' LEU . 14.7 m -118.15 -178.73 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.872 0.367 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -91.3 145.3 24.76 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.792 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -58.68 -20.84 51.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -64.15 -49.16 73.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.008 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.45 -44.12 68.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.287 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.666 HG21 ' HG2' ' A' ' 16' ' ' GLN . 2.0 mp -63.84 -31.01 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.423 179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -70.92 -43.49 68.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.753 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -73.5 -25.11 60.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.172 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 43.3 m0 -67.94 -49.73 60.05 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.258 -179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 34' ' ' ILE . 29.0 mt -90.09 7.73 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.585 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -27.11 19.91 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.926 0.393 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.16 7.65 13.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.519 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.17 45.65 54.8 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.319 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HD3' HD11 ' A' ' 40' ' ' ILE . 1.3 ttt85 -79.52 107.95 12.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.15 104.85 0.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.725 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG22 ' N ' ' A' ' 41' ' ' PHE . 52.4 mt -133.12 158.17 43.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.093 0.473 . . . . 0.0 111.331 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.513 ' N ' HG22 ' A' ' 40' ' ' ILE . 88.5 m-85 -135.79 159.95 40.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.193 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.901 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.0 pt? -139.41 130.29 26.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.371 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.832 ' C ' HG23 ' A' ' 50' ' ' VAL . 24.9 m -98.08 107.48 19.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.794 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.529 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 22.2 mt -79.73 139.93 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.05 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -100.63 161.13 13.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.88 -9.96 59.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.361 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.28 -24.09 14.63 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.263 0.554 . . . . 0.0 111.242 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.76 12.64 7.75 Favored Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.7 p -103.27 94.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.865 0.365 . . . . 0.0 110.325 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.832 HG23 ' C ' ' A' ' 43' ' ' THR . 14.9 p -106.87 142.21 20.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -126.92 145.12 50.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.587 ' H ' HD21 ' A' ' 23' ' ' LEU . . . -92.69 119.31 31.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -103.4 144.97 30.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -102.1 137.88 39.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.18 150.53 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.87 155.87 36.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.35 136.8 56.05 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.729 2.286 . . . . 0.0 112.199 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 1.0 OUTLIER -57.13 169.51 0.69 Allowed Pre-proline 0 N--CA 1.45 -0.442 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.302 -179.838 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 58' ' ' ASP . 35.7 Cg_exo -60.02 -150.31 0.01 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.54 2.16 . . . . 0.0 111.584 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.59 19.93 8.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.101 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -160.07 56.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.916 0.389 . . . . 0.0 110.772 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -80.08 158.99 26.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.021 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.19 -46.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.794 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.99 121.9 19.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.811 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 17.7 p -88.75 129.74 35.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.289 -0.863 . . . . 0.0 111.089 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.4 mtm . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.822 0.344 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.56 161.79 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -152.3 39.55 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.56 79.34 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.604 ' O ' HD23 ' A' ' 42' ' ' LEU . 4.7 mt -79.66 167.27 2.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.34 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.578 ' N ' HG22 ' A' ' 5' ' ' ILE . 74.1 p -85.34 148.58 25.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.614 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 34' ' ' ILE . 29.3 tp -57.72 -34.05 69.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -53.66 33.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.036 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -58.03 -60.29 3.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.167 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.825 ' CG ' HD11 ' A' ' 42' ' ' LEU . 10.3 t80 -53.78 -27.73 30.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.24 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -76.51 -47.55 22.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.13 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtm -76.64 -23.38 53.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.404 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -84.38 -69.05 0.67 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.371 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -79.91 -25.2 40.66 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.679 -179.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 107.88 133.31 7.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.527 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.571 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 1.6 mt-30 -55.16 -26.59 39.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.801 0.334 . . . . 0.0 111.052 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 m -69.93 -59.63 2.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.652 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.85 -28.02 61.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 0.0 111.565 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 HG23 ' CD1' ' A' ' 10' ' ' TYR . 1.7 m -71.83 -33.48 68.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.25 -27.71 62.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.291 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.1 -30.82 17.43 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.45 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.421 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 1.2 m-20 -65.92 -29.16 69.53 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.895 0.379 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' A' ' 52' ' ' ALA . 2.2 mp -95.54 -51.61 4.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.104 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 133.88 -22.28 3.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.254 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.0 m -80.12 178.75 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.885 0.343 . . . . 0.0 111.084 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -179.55 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.4 -22.58 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -27.33 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.13 -39.0 20.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 28.3 mm -62.51 -42.51 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.985 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -65.51 -36.31 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -73.5 -27.03 61.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.549 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 43.0 m0 -69.15 -47.13 65.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.331 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' ' 7' ' ' LEU . 21.8 mt -84.5 -21.81 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.191 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.18 -28.63 64.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.971 0.415 . . . . 0.0 111.138 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.93 7.46 23.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.707 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.33 33.58 86.59 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.577 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HD3' HD11 ' A' ' 40' ' ' ILE . 69.5 ttt180 -68.36 122.1 17.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -61.64 118.81 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 41' ' ' PHE . 31.1 mt -149.59 159.34 5.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' N ' HG22 ' A' ' 40' ' ' ILE . 96.2 m-85 -139.56 151.1 45.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.691 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.825 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.0 pt? -136.41 123.06 21.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.816 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.414 ' HB ' ' CE2' ' A' ' 51' ' ' TYR . 0.2 OUTLIER -91.81 121.01 33.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.3 mt -81.98 142.62 13.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -101.58 147.68 26.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.809 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.43 -19.93 51.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -80.03 -23.12 41.66 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.987 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.32 18.27 6.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.677 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.52 168.45 9.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.705 0.288 . . . . 0.0 110.618 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.666 HG11 HD12 ' A' ' 42' ' ' LEU . 2.2 t -149.89 140.85 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.173 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' HB ' ' A' ' 43' ' ' THR . 11.1 p90 -129.68 137.8 50.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.754 179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -86.93 137.52 32.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 -179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -129.54 168.86 15.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.752 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -127.08 163.57 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.057 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.97 104.64 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 ttmt -141.22 139.52 19.29 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.806 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.76 -167.62 0.23 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.452 2.102 . . . . 0.0 112.317 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -116.54 64.61 3.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.15 63.02 2.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.487 2.124 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 23.2 t -104.1 33.96 3.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.14 129.85 56.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -109.18 -26.8 9.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -80.0 134.26 36.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.75 90.87 2.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.19 -47.15 0.13 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.27 -0.872 . . . . 0.0 111.054 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.787 0.327 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -121.38 166.24 14.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.5 38.01 4.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -87.19 81.73 7.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.056 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.605 ' O ' HD23 ' A' ' 42' ' ' LEU . 6.1 mt -79.63 163.85 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.296 0.57 . . . . 0.0 111.404 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.555 ' N ' HG22 ' A' ' 5' ' ' ILE . 10.5 p -79.13 145.19 33.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 tp -57.25 -39.74 76.21 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.21 -49.68 74.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.92 -57.12 13.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.833 ' CG ' HD11 ' A' ' 42' ' ' LEU . 22.9 t80 -57.65 -32.85 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.55 -50.24 53.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.118 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -25.55 60.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.277 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.4 -60.97 1.82 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.219 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.436 ' HB2' ' CD1' ' A' ' 10' ' ' TYR . 96.9 m-85 -91.62 19.88 5.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.831 -179.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.17 170.39 0.11 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.61 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' HG2' HG21 ' A' ' 30' ' ' ILE . 52.5 mt-30 -78.66 -30.41 46.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.0 m -65.39 -56.7 11.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.53 -27.31 48.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.113 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -76.91 -46.01 25.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.989 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.51 -24.92 60.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.302 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.67 -43.06 23.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.805 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -69.66 -40.91 76.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.114 0.483 . . . . 0.0 111.08 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.81 -29.0 40.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 32.28 29.82 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.162 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.48 179.65 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -83.8 133.56 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -54.41 -24.57 20.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.19 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.1 p -67.76 -38.33 83.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.37 86.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 30' ' ' ILE . 1.7 mp -62.2 -35.06 66.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.047 0.451 . . . . 0.0 110.331 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.64 -47.37 75.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.293 179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -29.63 70.79 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.976 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' A' ' 30' ' ' ILE . 52.0 m0 -69.75 -46.58 65.56 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.306 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.4 mt -82.23 -18.96 10.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.415 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -55.22 -45.65 75.96 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.307 0.575 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.69 7.9 32.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.592 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.65 54.77 23.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.599 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -76.34 109.46 10.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.432 ' HD3' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -63.34 87.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 41' ' ' PHE . 41.5 mt -113.31 158.46 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 93.7 m-85 -129.55 152.38 49.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.912 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.833 HD11 ' CG ' ' A' ' 10' ' ' TYR . 2.1 pt? -138.73 130.38 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.909 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.6 m -95.76 121.15 37.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.971 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.6 mt -92.74 130.24 42.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -95.09 171.06 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.18 7.98 35.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.468 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -18.82 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.849 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.31 10.89 14.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.542 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 p -106.14 155.43 19.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.563 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.6 t -149.6 140.5 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.212 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -130.35 148.17 52.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.15 132.36 42.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.284 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.92 -179.06 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.68 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.8 44.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.1 t -127.91 134.71 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -97.51 130.0 30.36 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.06 -179.11 5.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.617 2.211 . . . . 0.0 112.361 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.67 -56.23 0.67 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -43.64 94.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.709 2.272 . . . . 0.0 112.584 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 30.3 t -88.27 54.62 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.823 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -79.79 -166.34 0.98 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.0 mmtm -79.92 160.24 26.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.959 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -155.57 119.24 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.96 154.98 43.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 65.3 p -140.66 31.34 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.083 179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.81 0.338 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -168.3 117.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.16 37.62 1.83 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.17 69.6 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.54 ' O ' HD23 ' A' ' 42' ' ' LEU . 3.0 mt -79.46 164.94 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.267 0.556 . . . . 0.0 111.438 -179.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 5' ' ' ILE . 0.8 OUTLIER -88.97 162.75 15.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.854 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.629 HD11 HG23 ' A' ' 30' ' ' ILE . 15.5 tp -67.91 -32.55 73.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.975 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -51.26 63.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.006 -179.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -58.56 -54.92 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.968 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.944 ' CD2' HD11 ' A' ' 42' ' ' LEU . 7.6 t80 -57.64 -36.55 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.18 -30.96 67.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.249 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.09 -24.29 21.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.3 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.04 -70.02 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 69.5 m-85 -80.09 -35.6 36.7 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.433 -179.469 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 111.2 147.8 11.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.429 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -30.12 67.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.2 m -66.62 -49.86 64.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.725 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -62.6 -33.21 74.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.459 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -69.44 -53.85 17.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -60.9 -28.34 68.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -73.66 -48.56 31.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.002 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.82 -35.88 75.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.4 OUTLIER -79.99 -41.2 26.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.795 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.28 59.72 0.97 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.301 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.465 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 13.4 m -151.19 -179.11 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 0.0 111.054 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -90.91 137.94 31.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.779 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -54.12 -24.68 18.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.303 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.3 p -63.06 -32.92 74.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.799 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.83 -40.96 62.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.629 HG23 HD11 ' A' ' 7' ' ' LEU . 32.1 mm -60.78 -47.29 93.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.754 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -63.34 -33.3 75.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.716 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -72.15 -27.75 62.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.515 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 46.9 m0 -69.84 -46.45 65.55 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.261 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 24.0 mt -79.65 -28.27 12.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.034 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -31.16 65.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.066 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.45 -16.99 14.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.509 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.17 36.97 13.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.628 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.6 ttt85 -68.09 118.07 10.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.5 107.9 1.51 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.503 HG22 ' N ' ' A' ' 41' ' ' PHE . 23.3 mt -138.28 159.58 32.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.202 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' N ' HG22 ' A' ' 40' ' ' ILE . 95.9 m-85 -140.94 118.87 11.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.944 HD11 ' CD2' ' A' ' 10' ' ' TYR . 2.2 pt? -100.99 135.07 43.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.41 ' HB ' ' CE1' ' A' ' 51' ' ' TYR . 19.6 m -100.11 115.52 29.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.092 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.451 HD12 ' CD1' ' A' ' 5' ' ' ILE . 34.7 mt -87.27 130.72 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -92.29 167.25 12.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.68 -2.51 43.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.579 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.74 -20.56 13.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.985 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.98 7.83 11.21 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.417 -0.42 . . . . 0.0 112.813 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.62 124.06 37.36 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.819 0.342 . . . . 0.0 110.695 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.918 HG11 HD12 ' A' ' 42' ' ' LEU . 2.3 t -126.93 137.3 58.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.411 ' CE2' ' HG3' ' A' ' 53' ' ' GLU . 32.7 p90 -133.74 134.16 42.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -79.93 122.49 26.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.136 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.411 ' HG3' ' CE2' ' A' ' 51' ' ' TYR . 5.4 mt-10 -115.41 168.0 10.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -122.0 160.73 24.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.02 93.02 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.1 133.94 25.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.775 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.97 144.03 33.68 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.486 2.124 . . . . 0.0 112.399 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -129.42 71.78 82.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.33 63.27 2.12 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.614 2.209 . . . . 0.0 112.322 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 m -142.17 -58.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -103.45 171.54 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -58.76 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.064 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.07 97.19 1.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.932 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.9 t -87.58 73.75 9.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.978 0.418 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.4 m -122.05 152.93 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.188 -0.91 . . . . 0.0 111.133 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 mtp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -154.83 56.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -97.46 38.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.794 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.99 105.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.932 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.65 HG22 ' H ' ' A' ' 6' ' ' THR . 1.0 OUTLIER -102.94 -174.01 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.384 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.65 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -90.58 146.75 23.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.967 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.893 ' HA ' HD11 ' A' ' 42' ' ' LEU . 53.5 tp -69.0 -36.37 77.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.96 0.41 . . . . 0.0 110.775 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.89 -48.57 71.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.13 -43.36 95.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.774 ' CD1' HG23 ' A' ' 19' ' ' THR . 14.2 t80 -60.17 -33.0 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.984 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.441 ' HB1' ' HG2' ' A' ' 16' ' ' GLN . . . -71.07 -52.73 17.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -25.42 61.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -89.49 -60.72 1.87 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.202 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -95.66 26.59 3.89 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.513 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.64 169.06 0.92 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' HG2' ' HB1' ' A' ' 11' ' ' ALA . 17.6 mt-30 -88.68 -31.63 18.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.689 0.281 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 85.7 m -66.18 -46.75 76.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -59.95 -38.25 81.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.939 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.774 HG23 ' CD1' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -59.87 -52.5 65.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -24.03 65.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.398 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -84.35 -41.89 16.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' HB3' ' CG2' ' A' ' 50' ' ' VAL . 0.5 OUTLIER -73.01 -34.83 66.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.959 -179.612 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 52' ' ' ALA . 0.5 OUTLIER -79.95 -27.72 39.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.45 33.29 9.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.277 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.97 -178.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.775 0.322 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -95.47 148.85 22.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.673 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -59.35 -20.44 54.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -43.26 87.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.24 88.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.123 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD13 ' CZ3' ' A' ' 33' ' ' TRP . 30.6 mm -59.66 -47.38 91.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.84 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.39 -39.76 88.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -64.42 -30.97 72.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.044 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . 0.576 ' CZ3' HD13 ' A' ' 30' ' ' ILE . 53.4 m0 -70.61 -47.7 58.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.375 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 34' ' ' ILE . 36.7 mt -83.07 -10.6 11.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.347 179.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -29.71 60.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.945 0.403 . . . . 0.0 111.055 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.25 4.02 20.53 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.62 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.32 50.11 34.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.635 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -82.15 108.03 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.951 0.405 . . . . 0.0 110.782 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 105.59 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.98 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 41' ' ' PHE . 35.5 mt -136.03 157.75 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.035 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.5 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.7 m-85 -144.01 127.42 16.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.893 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -97.01 149.05 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.964 0.412 . . . . 0.0 110.802 179.674 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HB ' ' CZ ' ' A' ' 51' ' ' TYR . 28.1 m -113.92 120.05 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.774 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.9 mt -84.94 113.99 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.029 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -79.91 172.25 14.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 3.48 33.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.523 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.98 -17.91 14.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.947 0.404 . . . . 0.0 111.024 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.85 9.2 16.78 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.478 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.89 158.66 15.54 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.829 0.347 . . . . 0.0 110.758 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.71 HG12 ' HB2' ' A' ' 42' ' ' LEU . 1.4 t -145.31 106.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.748 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CZ ' ' HB ' ' A' ' 43' ' ' THR . 10.8 p90 -107.48 139.77 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.557 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -89.42 130.18 35.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.296 -179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -107.63 143.6 35.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.47 136.76 41.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.082 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.1 t -133.27 80.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.97 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -134.17 104.89 11.35 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.88 136.23 43.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.455 2.103 . . . . 0.0 112.331 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 0.3 OUTLIER -106.8 132.71 20.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.816 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 27.0 Cg_exo -62.1 76.06 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.564 2.176 . . . . 0.0 112.369 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.5 m 52.65 83.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -112.93 143.48 44.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.948 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.03 150.34 28.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -151.18 91.96 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.04 82.94 8.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.95 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 p -128.56 157.63 40.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.324 -0.846 . . . . 0.0 111.028 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mmt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.848 0.356 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.85 157.15 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.22 36.78 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 70.92 1.12 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.909 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -79.55 167.98 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.291 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.544 ' H ' HG22 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -80.61 150.49 29.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' CD1' HG21 ' A' ' 19' ' ' THR . 54.3 tp -57.93 -36.52 72.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.77 -48.83 80.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.76 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.91 -35.6 72.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.661 ' CE2' HD22 ' A' ' 42' ' ' LEU . 3.5 t80 -56.29 -32.3 64.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.057 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB1' ' HG3' ' A' ' 16' ' ' GLN . . . -79.02 -28.63 43.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.238 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mtp -84.46 -31.0 24.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.988 0.423 . . . . 0.0 111.188 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.438 ' HD3' ' CE2' ' A' ' 14' ' ' PHE . 10.4 ttt-85 -90.06 -66.93 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 5' ' ' ILE . 81.1 m-85 -79.88 -42.82 23.43 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.642 -179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 116.91 144.58 7.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.551 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 61.4 mt-30 -59.07 -34.02 71.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 84.4 m -64.73 -48.1 75.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -66.26 -35.55 80.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 HG21 ' CD1' ' A' ' 7' ' ' LEU . 2.5 m -58.69 -33.71 70.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.823 ' HB1' ' O ' ' A' ' 25' ' ' VAL . . . -87.65 -29.01 21.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -79.0 -36.26 41.54 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -68.7 -42.84 77.18 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.849 0.357 . . . . 0.0 110.981 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.522 HD21 ' H ' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -79.94 -56.35 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.989 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 128.08 41.3 0.28 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.581 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.823 ' O ' ' HB1' ' A' ' 20' ' ' ALA . 8.9 m -138.63 -178.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.722 0.296 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -100.15 163.44 12.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.801 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -61.96 -18.77 61.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.154 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 t -60.16 -46.6 89.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.04 -44.1 93.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.153 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 ' N ' HD12 ' A' ' 30' ' ' ILE . 2.0 mp -62.84 -30.72 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.333 179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -69.29 -44.55 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -72.26 -25.81 61.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.231 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -68.25 -46.24 71.0 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 23.6 mt -84.0 -26.75 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -28.55 65.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.62 -18.16 12.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 90.32 61.92 1.3 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.488 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.78 117.65 24.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.785 0.326 . . . . 0.0 110.847 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.4 mmtm -72.9 97.19 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.015 HG21 ' HB1' ' A' ' 52' ' ' ALA . 22.3 mt -127.73 161.49 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.522 ' N ' HG22 ' A' ' 40' ' ' ILE . 97.2 m-85 -141.07 114.52 8.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.138 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.661 HD22 ' CE2' ' A' ' 10' ' ' TYR . 3.0 mp -79.91 121.0 24.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.21 105.69 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.579 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.406 HG23 HG22 ' A' ' 50' ' ' VAL . 29.5 mt -87.44 117.4 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -79.92 171.27 15.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.62 -8.82 57.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.518 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.24 -18.47 23.38 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.767 0.317 . . . . 0.0 111.061 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.53 15.27 15.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.45 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.36 128.88 48.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.761 0.315 . . . . 0.0 110.541 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 42' ' ' LEU . 2.1 t -118.33 137.31 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.923 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -135.22 134.14 39.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 1.015 ' HB1' HG21 ' A' ' 40' ' ' ILE . . . -89.57 117.86 28.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -97.21 129.85 44.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -95.73 131.54 41.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.4 t -108.62 89.8 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -152.0 144.63 16.92 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.7 143.81 34.36 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.525 2.15 . . . . 0.0 112.297 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.89 122.23 10.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.878 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.68 93.7 0.69 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.361 2.041 . . . . 0.0 112.261 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.6 m -138.91 56.01 1.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -135.99 99.85 4.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 91.85 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 mttp -138.45 109.22 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.964 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 79.8 p -135.48 106.14 6.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.4 t -137.01 66.61 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.212 -0.899 . . . . 0.0 111.105 179.991 . . . . . . . . 0 0 . 1 stop_ save_