data_2k6p_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 2k6p _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 ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 63' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.42 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' ARG . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.795 0.331 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 HD13 HG23 ' A' ' 63' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 p30 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 8' ' ' GLN . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CE2' HG12 ' A' ' 60' ' ' ILE . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 80.0 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.403 ' N ' ' CD1' ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 6' ' ' PHE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 63' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 8' ' ' GLN . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.811 0.338 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 60' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 47' ' ' ILE . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.44 HG22 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 HG23 ' A' ' 47' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 55' ' ' ILE . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 6' ' ' PHE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 76' ' ' LEU . 1.9 p-80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.877 0.37 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.423 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD11 ' CG ' ' A' ' 8' ' ' GLN . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 80' ' ' PRO . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 63' ' ' ILE . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 78' ' ' ILE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD13 ' CG ' ' A' ' 8' ' ' GLN . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 69.2 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.417 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 ' CZ ' ' A' ' 6' ' ' PHE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 2' ' ' ARG . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 78' ' ' ILE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 78' ' ' ILE . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 8' ' ' GLN . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' CE1' ' O ' ' A' ' 72' ' ' LYS . 7.6 p-80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 65.5 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' A' ' 6' ' ' PHE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 63' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 80' ' ' PRO . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 63' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.433 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 58' ' ' TYR . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CD1' HD11 ' A' ' 49' ' ' LEU . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.426 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.44 HD12 HG23 ' A' ' 63' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CB ' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.432 ' CE1' ' CB ' ' A' ' 56' ' ' GLU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 60' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.422 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CE2' HG12 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.9 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.7 0.286 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 47' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 58' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' CE2' ' A' ' 6' ' ' PHE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 63' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.95 110.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -101.43 127.09 48.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.86 172.98 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -134.56 84.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.84 135.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -78.51 -1.32 33.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.811 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' N ' HD11 ' A' ' 18' ' ' LEU . . . -116.61 108.83 16.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 40.2 p -59.85 113.21 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 63' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 146.94 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -164.41 161.76 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -135.8 103.68 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.957 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 2' ' ' ARG . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m -110.63 135.58 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 -174.73 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 60.13 76.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 -52.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t 65.14 96.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.1 -176.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 71.95 118.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.25 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 p -120.17 100.66 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 HD13 HG23 ' A' ' 63' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.419 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 p30 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.419 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 80.44 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.7 t -143.03 178.67 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.23 88.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.869 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.42 HD12 ' CG ' ' A' ' 8' ' ' GLN . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -123.35 148.05 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -78.73 175.16 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm-85 -69.37 175.63 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.5 155.83 49.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -87.54 -29.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -169.68 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -178.94 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 42.3 p -59.2 104.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 55' ' ' ILE . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD2' ' HG2' ' A' ' 64' ' ' PRO . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.48 102.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -114.14 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 pttt 43.38 72.53 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.403 HG21 ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' CE2' HG12 ' A' ' 60' ' ' ILE . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 80.0 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.4 p -64.75 149.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -94.45 -165.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.36 160.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -108.57 60.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.769 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -147.67 154.46 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.87 -27.39 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.93 137.46 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.214 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 110.71 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.4 ' CG1' HG23 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.403 ' N ' ' CD1' ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 6' ' ' PHE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 101.58 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -150.79 152.72 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -144.65 157.9 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.893 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -125.07 158.53 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.71 -177.47 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 61.34 156.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.41 -175.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.0 t 68.09 161.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 mp 66.47 -76.1 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.86 164.15 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 11.2 t -106.37 175.87 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 63' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -132.17 65.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.23 155.14 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -157.03 34.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 8' ' ' GLN . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.426 ' CG ' HD13 ' A' ' 7' ' ' LEU . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -119.94 144.2 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.82 124.88 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -107.03 -77.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -111.61 61.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.82 155.93 45.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 133.6 46.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.62 115.3 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.406 ' CD1' HG12 ' A' ' 60' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 HG12 ' CD1' ' A' ' 47' ' ' ILE . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -59.94 129.29 41.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.21 127.81 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -144.8 142.14 29.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.44 HG22 HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' CE2' HG12 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.62 76.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.46 114.86 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -152.69 -61.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.21 154.19 20.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.77 -48.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.22 -67.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.26 157.25 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.997 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.1 t -103.35 -49.24 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 HG23 ' A' ' 47' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 HD11 HG21 ' A' ' 55' ' ' ILE . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.409 HG12 ' CE2' ' A' ' 6' ' ' PHE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.25 97.46 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.6 135.33 50.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -132.45 168.42 18.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.803 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' CZ ' HG22 ' A' ' 60' ' ' ILE . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.0 t -129.07 156.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.49 123.59 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -79.34 62.27 3.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 111.13 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 t 60.17 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.2 mp -59.18 -42.58 91.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.29 23.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m -98.72 98.66 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.414 HG22 ' CZ ' ' A' ' 6' ' ' PHE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CD2' ' CD1' ' A' ' 76' ' ' LEU . 1.9 p-80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -90.76 53.5 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.33 131.0 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.89 32.18 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.88 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.02 109.79 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -154.06 140.99 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -144.78 -64.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -156.82 -46.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -79.45 145.38 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.3 -23.37 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -125.86 129.41 49.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.097 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -84.64 126.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.24 140.68 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -144.14 76.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.878 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD11 ' CG ' ' A' ' 8' ' ' GLN . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.9 t -102.3 66.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -67.73 103.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -151.88 158.49 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 37.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.39 166.36 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -124.89 29.98 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.32 159.02 15.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.1 p -110.86 98.58 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.423 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -128.61 -179.46 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.07 135.26 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 40.07 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.3 m -91.38 153.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 154.21 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 63.06 142.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 59.35 76.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.2 115.74 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.13 75.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.253 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 t -163.54 122.12 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 80' ' ' PRO . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 63' ' ' ILE . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.402 HD11 HG23 ' A' ' 78' ' ' ILE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.404 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 87.62 6.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.81 118.49 22.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -153.49 146.13 24.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.848 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD13 ' CG ' ' A' ' 8' ' ' GLN . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 69.2 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.2 m -118.99 72.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -97.17 88.29 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -132.55 154.54 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.38 66.41 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -93.25 150.75 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -78.7 -65.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.83 149.22 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -81.28 114.23 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.411 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.417 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 ' CZ ' ' A' ' 6' ' ' PHE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -117.4 108.94 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.9 143.06 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.97 161.03 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 2' ' ' ARG . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.42 159.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -113.16 148.54 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.58 98.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.51 127.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.1 t 59.81 159.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.8 pp -103.93 176.07 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.35 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.87 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.423 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.424 HG23 HD12 ' A' ' 78' ' ' ILE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.59 103.23 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.04 140.65 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -140.33 32.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p -146.83 136.98 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -58.07 161.93 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.04 -174.02 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 69.88 86.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.52 44.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.83 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.32 163.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.4 p -74.08 177.02 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -95.62 153.75 17.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -155.83 158.3 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -141.27 172.52 12.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.931 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 78' ' ' ILE . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD11 ' CG ' ' A' ' 8' ' ' GLN . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -114.83 83.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.53 34.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 117.13 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.4 mtp-105 62.8 123.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.71 -30.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tt -77.81 129.49 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.0 158.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -129.84 106.73 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' CE1' ' O ' ' A' ' 72' ' ' LYS . 7.6 p-80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 52.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.66 -178.17 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.858 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 pttt 46.41 -169.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.42 HG21 HD12 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.418 ' CE1' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.511 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 65.5 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 HG21 ' N ' ' A' ' 14' ' ' LYS . 12.9 p -57.69 143.05 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 13' ' ' VAL . 24.5 mmtt -55.93 -24.27 36.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.19 45.75 2.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.54 170.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t 66.0 94.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 179.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.85 99.73 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m 60.15 80.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.406 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG23 ' CE1' ' A' ' 6' ' ' PHE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 HD11 HG23 ' A' ' 63' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -102.3 145.34 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.32 154.57 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -145.48 31.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -103.5 157.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -133.94 35.91 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.03 92.37 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 109.64 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.13 -67.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.56 -68.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.42 -78.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.329 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.12 172.71 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.971 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' A' ' 80' ' ' PRO . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 6' ' ' PHE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 63' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -92.07 123.91 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.39 113.91 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -152.77 127.89 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.433 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m -121.73 119.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -121.0 52.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -142.26 168.35 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 85.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.5 t -106.51 29.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -110.78 75.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.11 18.61 10.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.366 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m 52.71 98.96 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG1' HG22 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.426 HD11 ' CD1' ' A' ' 58' ' ' TYR . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.426 ' CD1' HD11 ' A' ' 49' ' ' LEU . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.426 HG12 ' CZ ' ' A' ' 6' ' ' PHE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.44 HD12 HG23 ' A' ' 63' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.421 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.421 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -175.71 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m 62.07 155.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -145.36 89.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.408 HG21 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.421 ' HB2' ' O ' ' A' ' 2' ' ' ARG . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 12' ' ' LEU . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t -104.65 130.83 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.32 33.52 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.084 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 10.3 ttt180 60.03 111.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -51.93 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.87 177.66 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.54 -31.06 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.85 150.73 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.9 t -84.71 115.61 22.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.425 ' O ' ' CD1' ' A' ' 29' ' ' TRP . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' CB ' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.432 ' CE1' ' CB ' ' A' ' 56' ' ' GLU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 60' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 121.04 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.24 139.05 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.11 155.92 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.792 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.422 HG22 ' CG1' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.417 ' CE2' HG12 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.9 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.2 p -92.82 152.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.24 149.18 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 59.19 22.52 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -157.38 71.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.79 171.28 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 mp 63.77 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.168 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 135.18 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.338 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -94.79 108.25 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.422 ' CG1' HG22 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 47' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 HD12 ' CD1' ' A' ' 58' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.415 ' CD1' HD12 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG12 ' CE2' ' A' ' 6' ' ' PHE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.42 HD13 HG22 ' A' ' 63' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.425 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -76.23 159.79 30.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.52 151.51 37.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -147.23 146.99 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.88 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.666 ' O ' HG13 ' A' ' 10' ' ' VAL . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.443 HG21 ' HB1' ' A' ' 37' ' ' ALA . 40.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.691 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.88 HG13 HD12 ' A' ' 3' ' ' ILE . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 41' ' ' VAL . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 HD13 ' A' ' 30' ' ' LEU . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 62' ' ' GLN . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 47' ' ' ILE . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 60' ' ' ILE . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 51' ' ' TYR . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.435 ' HE1' HD22 ' A' ' 49' ' ' LEU . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 47' ' ' ILE . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 60' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 74' ' ' THR . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 69' ' ' VAL . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' A' ' 6' ' ' PHE . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.832 HG21 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 20' ' ' THR . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.847 ' O ' HG13 ' A' ' 10' ' ' VAL . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.847 HG13 ' O ' ' A' ' 6' ' ' PHE . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.607 HG21 ' HB1' ' A' ' 37' ' ' ALA . 16.4 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.795 0.331 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 25' ' ' VAL . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 22' ' ' MET . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG13 HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG11 ' A' ' 28' ' ' VAL . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 30' ' ' LEU . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 60' ' ' ILE . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.83 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 48' ' ' SER . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 49' ' ' LEU . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 47' ' ' ILE . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 63' ' ' ILE . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 10' ' ' VAL . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.679 HD12 HD12 ' A' ' 47' ' ' ILE . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.413 ' HG2' ' CD2' ' A' ' 6' ' ' PHE . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.85 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CD2' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 12' ' ' LEU . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.798 HG21 ' HB1' ' A' ' 37' ' ' ALA . 42.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.794 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' A' ' 22' ' ' MET . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.85 HG13 HD12 ' A' ' 3' ' ' ILE . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.798 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 6' ' ' PHE . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 78' ' ' ILE . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.724 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 7' ' ' LEU . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 78' ' ' ILE . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 47' ' ' ILE . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 60' ' ' ILE . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 66' ' ' LEU . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 74' ' ' THR . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.484 ' HB ' HG13 ' A' ' 69' ' ' VAL . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 47' ' ' ILE . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 10' ' ' VAL . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 4' ' ' ASP . 21.5 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' PHE . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 25' ' ' VAL . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 22' ' ' MET . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 30' ' ' LEU . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 60' ' ' ILE . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.733 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 48' ' ' SER . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 55' ' ' ILE . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 78' ' ' ILE . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 47' ' ' ILE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' CA ' ' A' ' 78' ' ' ILE . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 60' ' ' ILE . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 66' ' ' LEU . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 58' ' ' TYR . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.798 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' ALA . 11.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.638 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 22' ' ' MET . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 3' ' ' ILE . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 41' ' ' VAL . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' A' ' 20' ' ' THR . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD11 ' A' ' 30' ' ' LEU . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.552 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 53' ' ' LYS . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.746 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 78' ' ' ILE . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 HG21 ' A' ' 60' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.854 HD11 ' HB2' ' A' ' 58' ' ' TYR . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' OH ' ' A' ' 58' ' ' TYR . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.421 HG21 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.811 0.338 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 35' ' ' ALA . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 41' ' ' VAL . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HD3' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 30' ' ' LEU . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 78' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.882 HD11 HD22 ' A' ' 7' ' ' LEU . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.598 ' OH ' HD21 ' A' ' 12' ' ' LEU . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 45' ' ' ASP . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 60' ' ' ILE . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' PRO . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.563 ' CD1' HG23 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' ' 66' ' ' LEU . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 47' ' ' ILE . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TYR . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 1.084 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.651 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD22 HD21 ' A' ' 49' ' ' LEU . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 37' ' ' ALA . 9.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 1.084 HG13 HD12 ' A' ' 3' ' ' ILE . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 1' ' ' MET . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 60' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.79 ' O ' HD22 ' A' ' 49' ' ' LEU . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.93 HD21 HD22 ' A' ' 7' ' ' LEU . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' LEU . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 47' ' ' ILE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 60' ' ' ILE . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HB2' HD13 ' A' ' 66' ' ' LEU . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.629 HD12 ' HE2' ' A' ' 6' ' ' PHE . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.681 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 10' ' ' VAL . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 10' ' ' VAL . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG13 HD12 ' A' ' 3' ' ' ILE . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' HG2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 HD21 ' A' ' 30' ' ' LEU . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.405 ' O ' HD13 ' A' ' 47' ' ' ILE . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 60' ' ' ILE . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 49' ' ' LEU . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 47' ' ' ILE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 60' ' ' ILE . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' A' ' 66' ' ' LEU . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.971 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG22 HD11 ' A' ' 66' ' ' LEU . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' ND1' HD12 ' A' ' 76' ' ' LEU . 1.7 p80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.425 HD12 ' ND1' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.49 ' HE2' HG11 ' A' ' 69' ' ' VAL . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 10' ' ' VAL . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.877 0.37 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 3' ' ' ILE . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 30' ' ' LEU . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.537 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 60' ' ' ILE . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.688 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' C ' ' A' ' 48' ' ' SER . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 46' ' ' THR . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 78' ' ' ILE . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 47' ' ' ILE . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 1' ' ' MET . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 69' ' ' VAL . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 10' ' ' VAL . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 58' ' ' TYR . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.914 HD11 HD23 ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.822 ' O ' HG13 ' A' ' 10' ' ' VAL . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 3' ' ' ILE . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 13' ' ' VAL . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 6' ' ' PHE . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' A' ' 8' ' ' GLN . 24.9 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.681 HG21 ' HB1' ' A' ' 37' ' ' ALA . 67.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.682 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HA ' HG22 ' A' ' 28' ' ' VAL . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.682 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 22' ' ' MET . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 30' ' ' LEU . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 47' ' ' ILE . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 60' ' ' ILE . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 7' ' ' LEU . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 47' ' ' ILE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.432 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 69' ' ' VAL . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.642 ' CG2' HD12 ' A' ' 66' ' ' LEU . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 69' ' ' VAL . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.661 HD12 ' HE2' ' A' ' 6' ' ' PHE . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.893 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.734 ' O ' HG13 ' A' ' 10' ' ' VAL . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.717 ' HA ' HG22 ' A' ' 13' ' ' VAL . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 8' ' ' GLN . 33.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.699 HG21 ' CB ' ' A' ' 37' ' ' ALA . 2.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.782 ' HB3' HG13 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' HG22 ' A' ' 28' ' ' VAL . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HG2' ' A' ' 22' ' ' MET . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.893 HG12 HD12 ' A' ' 3' ' ' ILE . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 41' ' ' VAL . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 30' ' ' LEU . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.699 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 1' ' ' MET . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' HD13 ' A' ' 47' ' ' ILE . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 60' ' ' ILE . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 53' ' ' LYS . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.872 ' N ' HD12 ' A' ' 52' ' ' LEU . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 47' ' ' ILE . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' VAL . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 74' ' ' THR . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.562 ' HB ' HG12 ' A' ' 69' ' ' VAL . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.592 HD12 ' HE2' ' A' ' 6' ' ' PHE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.857 HD11 HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.462 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.66 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 3' ' ' ILE . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 4' ' ' ASP . 21.4 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 78' ' ' ILE . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 8' ' ' GLN . 4.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.865 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 22' ' ' MET . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 3' ' ' ILE . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 41' ' ' VAL . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 30' ' ' LEU . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 60' ' ' ILE . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.501 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 47' ' ' ILE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 62' ' ' GLN . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG22 HD21 ' A' ' 66' ' ' LEU . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG12 ' A' ' 69' ' ' VAL . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 10' ' ' VAL . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 10' ' ' VAL . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 49' ' ' LEU . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.594 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 21' ' ' ASP . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 3' ' ' ILE . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.487 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.71 ' O ' HD13 ' A' ' 47' ' ' ILE . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 60' ' ' ILE . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HE1' HD23 ' A' ' 49' ' ' LEU . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 47' ' ' ILE . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD11 HG21 ' A' ' 60' ' ' ILE . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.84 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 64' ' ' PRO . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.83 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.522 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 11' ' ' GLY . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.79 HG21 ' HB1' ' A' ' 37' ' ' ALA . 73.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.786 ' HB3' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.83 HG12 HD12 ' A' ' 3' ' ' ILE . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 41' ' ' VAL . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG12 HD21 ' A' ' 30' ' ' LEU . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 60' ' ' ILE . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 7' ' ' LEU . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.507 ' HE1' HD22 ' A' ' 49' ' ' LEU . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 47' ' ' ILE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.717 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 10' ' ' VAL . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' VAL . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 25' ' ' VAL . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 3' ' ' ILE . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 HG12 ' A' ' 41' ' ' VAL . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.743 HG23 HD12 ' A' ' 63' ' ' ILE . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 62' ' ' GLN . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HD12 ' A' ' 60' ' ' ILE . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.612 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 7' ' ' LEU . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HE1' HD23 ' A' ' 49' ' ' LEU . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 53' ' ' LYS . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 49' ' ' LEU . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 41' ' ' VAL . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG13 ' HD2' ' A' ' 70' ' ' PRO . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 41' ' ' VAL . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 3' ' ' ILE . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.2 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' PHE . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 22' ' ' MET . 12.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.583 ' CE ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 35' ' ' ALA . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HB2' ' CZ2' ' A' ' 29' ' ' TRP . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.838 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.741 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 2' ' ' ARG . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.649 ' O ' HD13 ' A' ' 47' ' ' ILE . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 60' ' ' ILE . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 48' ' ' SER . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HE2' HD23 ' A' ' 49' ' ' LEU . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' HB2' HD11 ' A' ' 78' ' ' ILE . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 47' ' ' ILE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.71 HD11 HG21 ' A' ' 60' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.545 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.727 HG12 HG21 ' A' ' 69' ' ' VAL . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 8' ' ' GLN . 27.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.562 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.58 ' HA ' HG22 ' A' ' 25' ' ' VAL . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 3' ' ' ILE . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD12 HG12 ' A' ' 41' ' ' VAL . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.437 ' HB2' HD23 ' A' ' 30' ' ' LEU . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.726 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.864 HG12 HD12 ' A' ' 30' ' ' LEU . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 60' ' ' ILE . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 49' ' ' LEU . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' ILE . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 47' ' ' ILE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HG2' HD22 ' A' ' 66' ' ' LEU . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.977 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 66' ' ' LEU . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.579 ' HG2' HG23 ' A' ' 13' ' ' VAL . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 8' ' ' GLN . 3.3 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.697 HG22 HD12 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 41' ' ' VAL . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 39' ' ' LYS . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD12 ' A' ' 30' ' ' LEU . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 78' ' ' ILE . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 78' ' ' ILE . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD11 ' A' ' 63' ' ' ILE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 60' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 47' ' ' ILE . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.819 ' O ' HG13 ' A' ' 10' ' ' VAL . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 6' ' ' PHE . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.651 HG21 ' CB ' ' A' ' 37' ' ' ALA . 1.9 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.803 HG12 ' HB3' ' A' ' 35' ' ' ALA . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 HD21 ' A' ' 30' ' ' LEU . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 60' ' ' ILE . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.519 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 49' ' ' LEU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 47' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 66' ' ' LEU . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 58' ' ' TYR . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.631 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.725 ' HA ' HG12 ' A' ' 13' ' ' VAL . 35.7 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.2 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.7 0.286 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 30' ' ' LEU . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.495 ' CB ' HD12 ' A' ' 60' ' ' ILE . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 60' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' HE1' ' A' ' 51' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE1' HD23 ' A' ' 49' ' ' LEU . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 55' ' ' ILE . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 47' ' ' ILE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.58 ' CD1' HG21 ' A' ' 60' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 64' ' ' PRO . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 66' ' ' LEU . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.88 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.666 ' O ' HG13 ' A' ' 10' ' ' VAL . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.95 110.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -101.43 127.09 48.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.86 172.98 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -134.56 84.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG22 ' H ' ' A' ' 19' ' ' ALA . 14.9 p -153.84 135.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.7 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -78.51 -1.32 33.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.811 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.829 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -116.61 108.83 16.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.443 HG21 ' HB1' ' A' ' 37' ' ' ALA . 40.2 p -59.85 113.21 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.691 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.88 HG13 HD12 ' A' ' 3' ' ' ILE . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 41' ' ' VAL . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 HD13 ' A' ' 30' ' ' LEU . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 62' ' ' GLN . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 47' ' ' ILE . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 60' ' ' ILE . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 51' ' ' TYR . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.435 ' HE1' HD22 ' A' ' 49' ' ' LEU . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 47' ' ' ILE . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 60' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 74' ' ' THR . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 69' ' ' VAL . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' A' ' 6' ' ' PHE . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 146.94 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -164.41 161.76 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -135.8 103.68 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.957 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.832 HG21 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 20' ' ' THR . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.847 ' O ' HG13 ' A' ' 10' ' ' VAL . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.847 HG13 ' O ' ' A' ' 6' ' ' PHE . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m -110.63 135.58 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 -174.73 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 60.13 76.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 -52.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t 65.14 96.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.1 mt 60.1 -176.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . 71.95 118.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.25 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.607 HG21 ' HB1' ' A' ' 37' ' ' ALA . 16.4 p -120.17 100.66 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 25' ' ' VAL . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 22' ' ' MET . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG13 HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG11 ' A' ' 28' ' ' VAL . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 30' ' ' LEU . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 60' ' ' ILE . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.83 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 48' ' ' SER . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 49' ' ' LEU . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 47' ' ' ILE . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 63' ' ' ILE . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 10' ' ' VAL . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.679 HD12 HD12 ' A' ' 47' ' ' ILE . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 80.44 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 83' ' ' LYS . 4.7 t -143.03 178.67 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER 43.23 88.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.869 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HG2' ' CD2' ' A' ' 6' ' ' PHE . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.85 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CD2' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 12' ' ' LEU . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -123.35 148.05 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -78.73 175.16 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm-85 -69.37 175.63 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.5 155.83 49.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -87.54 -29.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -169.68 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -178.94 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.798 HG21 ' HB1' ' A' ' 37' ' ' ALA . 42.3 p -59.2 104.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.794 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' A' ' 22' ' ' MET . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.85 HG13 HD12 ' A' ' 3' ' ' ILE . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.798 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 6' ' ' PHE . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 78' ' ' ILE . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.724 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 7' ' ' LEU . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 78' ' ' ILE . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 47' ' ' ILE . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 60' ' ' ILE . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 66' ' ' LEU . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 74' ' ' THR . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.484 ' HB ' HG13 ' A' ' 69' ' ' VAL . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 47' ' ' ILE . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.48 102.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -114.14 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 pttt 43.38 72.53 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 10' ' ' VAL . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 4' ' ' ASP . 21.5 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' PHE . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p -64.75 149.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -94.45 -165.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.36 160.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -108.57 60.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.769 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -147.67 154.46 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.87 -27.39 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.93 137.46 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.214 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 110.71 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 25' ' ' VAL . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 22' ' ' MET . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 30' ' ' LEU . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 60' ' ' ILE . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.733 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 48' ' ' SER . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 55' ' ' ILE . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 78' ' ' ILE . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 47' ' ' ILE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' CA ' ' A' ' 78' ' ' ILE . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 60' ' ' ILE . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 66' ' ' LEU . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 58' ' ' TYR . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 101.58 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -150.79 152.72 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -144.65 157.9 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.893 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.798 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 14' ' ' LYS . 39.4 t -125.07 158.53 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -107.71 -177.47 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 61.34 156.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.41 -175.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 18' ' ' LEU . 11.0 t 68.09 161.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.2 mp 66.47 -76.1 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.86 164.15 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' ALA . 11.2 t -106.37 175.87 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.638 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 22' ' ' MET . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 3' ' ' ILE . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 41' ' ' VAL . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' A' ' 20' ' ' THR . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD11 ' A' ' 30' ' ' LEU . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.552 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 53' ' ' LYS . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.746 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 78' ' ' ILE . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 HG21 ' A' ' 60' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.854 HD11 ' HB2' ' A' ' 58' ' ' TYR . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -132.17 65.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.23 155.14 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -157.03 34.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' OH ' ' A' ' 58' ' ' TYR . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -119.94 144.2 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.82 124.88 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -107.03 -77.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.3 p -111.61 61.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.82 155.93 45.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 133.6 46.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.421 HG21 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -58.62 115.3 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 35' ' ' ALA . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 41' ' ' VAL . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HD3' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 30' ' ' LEU . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 78' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.882 HD11 HD22 ' A' ' 7' ' ' LEU . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.598 ' OH ' HD21 ' A' ' 12' ' ' LEU . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 45' ' ' ASP . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 60' ' ' ILE . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' PRO . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.563 ' CD1' HG23 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' ' 66' ' ' LEU . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 47' ' ' ILE . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TYR . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -59.94 129.29 41.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.21 127.81 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -144.8 142.14 29.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 1.084 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.651 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD22 HD21 ' A' ' 49' ' ' LEU . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.62 76.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.46 114.86 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -152.69 -61.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.21 154.19 20.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.77 -48.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.22 -67.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.26 157.25 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.997 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 37' ' ' ALA . 9.1 t -103.35 -49.24 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 1.084 HG13 HD12 ' A' ' 3' ' ' ILE . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 1' ' ' MET . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 60' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.79 ' O ' HD22 ' A' ' 49' ' ' LEU . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.93 HD21 HD22 ' A' ' 7' ' ' LEU . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' LEU . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 47' ' ' ILE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 60' ' ' ILE . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HB2' HD13 ' A' ' 66' ' ' LEU . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.629 HD12 ' HE2' ' A' ' 6' ' ' PHE . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.25 97.46 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.6 135.33 50.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -132.45 168.42 18.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.803 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.681 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 10' ' ' VAL . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 10' ' ' VAL . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 14' ' ' LYS . 32.0 t -129.07 156.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.49 123.59 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -79.34 62.27 3.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 111.13 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 18' ' ' LEU . 11.4 t 60.17 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.2 mp -59.18 -42.58 91.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.29 23.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m -98.72 98.66 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG13 HD12 ' A' ' 3' ' ' ILE . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' HG2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 HD21 ' A' ' 30' ' ' LEU . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.405 ' O ' HD13 ' A' ' 47' ' ' ILE . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 60' ' ' ILE . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 49' ' ' LEU . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 47' ' ' ILE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 60' ' ' ILE . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' A' ' 66' ' ' LEU . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.971 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG22 HD11 ' A' ' 66' ' ' LEU . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' ND1' HD12 ' A' ' 76' ' ' LEU . 1.7 p80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.425 HD12 ' ND1' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.49 ' HE2' HG11 ' A' ' 69' ' ' VAL . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -90.76 53.5 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.33 131.0 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.89 32.18 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.88 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 10' ' ' VAL . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.02 109.79 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -154.06 140.99 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -144.78 -64.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -156.82 -46.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ALA . 11.3 p -79.45 145.38 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.3 -23.37 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -56.35 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -125.86 129.41 49.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.097 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 3' ' ' ILE . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 30' ' ' LEU . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.537 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 60' ' ' ILE . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.688 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' C ' ' A' ' 48' ' ' SER . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 46' ' ' THR . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 78' ' ' ILE . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 47' ' ' ILE . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 1' ' ' MET . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 69' ' ' VAL . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 10' ' ' VAL . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 58' ' ' TYR . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -84.64 126.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.24 140.68 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -144.14 76.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.878 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.914 HD11 HD23 ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.822 ' O ' HG13 ' A' ' 10' ' ' VAL . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 3' ' ' ILE . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 13' ' ' VAL . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 6' ' ' PHE . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' A' ' 8' ' ' GLN . 24.9 t -102.3 66.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -67.73 103.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -151.88 158.49 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 37.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.39 166.36 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.709 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -124.89 29.98 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.32 159.02 15.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.681 HG21 ' HB1' ' A' ' 37' ' ' ALA . 67.1 p -110.86 98.58 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.682 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HA ' HG22 ' A' ' 28' ' ' VAL . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.682 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 22' ' ' MET . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 30' ' ' LEU . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 47' ' ' ILE . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 60' ' ' ILE . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 7' ' ' LEU . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 47' ' ' ILE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.432 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 69' ' ' VAL . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.642 ' CG2' HD12 ' A' ' 66' ' ' LEU . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 69' ' ' VAL . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.661 HD12 ' HE2' ' A' ' 6' ' ' PHE . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -128.61 -179.46 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.07 135.26 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 40.07 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.893 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' O ' HG13 ' A' ' 10' ' ' VAL . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.717 ' HA ' HG22 ' A' ' 13' ' ' VAL . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 8' ' ' GLN . 33.3 m -91.38 153.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 154.21 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 63.06 142.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 59.35 76.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.2 115.74 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.13 75.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.253 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.699 HG21 ' CB ' ' A' ' 37' ' ' ALA . 2.5 t -163.54 122.12 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.782 ' HB3' HG13 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' HG22 ' A' ' 28' ' ' VAL . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HG2' ' A' ' 22' ' ' MET . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.893 HG12 HD12 ' A' ' 3' ' ' ILE . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 41' ' ' VAL . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 30' ' ' LEU . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.699 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 1' ' ' MET . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' HD13 ' A' ' 47' ' ' ILE . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 60' ' ' ILE . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 53' ' ' LYS . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.872 ' N ' HD12 ' A' ' 52' ' ' LEU . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 47' ' ' ILE . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' VAL . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 74' ' ' THR . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.562 ' HB ' HG12 ' A' ' 69' ' ' VAL . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.592 HD12 ' HE2' ' A' ' 6' ' ' PHE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 87.62 6.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.81 118.49 22.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -153.49 146.13 24.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.848 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.857 HD11 HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.462 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.66 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 3' ' ' ILE . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 4' ' ' ASP . 21.4 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 78' ' ' ILE . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 8' ' ' GLN . 4.2 m -118.99 72.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -97.17 88.29 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -132.55 154.54 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.38 66.41 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -93.25 150.75 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 18' ' ' LEU . 1.2 tm? -78.7 -65.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.83 149.22 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -81.28 114.23 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.865 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 22' ' ' MET . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 3' ' ' ILE . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 41' ' ' VAL . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 30' ' ' LEU . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 60' ' ' ILE . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.501 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 47' ' ' ILE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 62' ' ' GLN . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG22 HD21 ' A' ' 66' ' ' LEU . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG12 ' A' ' 69' ' ' VAL . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 10' ' ' VAL . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -117.4 108.94 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -138.9 143.06 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.97 161.03 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 10' ' ' VAL . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 49' ' ' LEU . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 14' ' ' LYS . 14.9 p -63.42 159.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 13' ' ' VAL . 3.8 mmmt -113.16 148.54 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.58 98.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.51 127.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 18' ' ' LEU . 20.1 t 59.81 159.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.8 pp -103.93 176.07 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 18' ' ' LEU . . . 62.35 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -163.87 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.594 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 21' ' ' ASP . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 3' ' ' ILE . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.487 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.71 ' O ' HD13 ' A' ' 47' ' ' ILE . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 60' ' ' ILE . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HE1' HD23 ' A' ' 49' ' ' LEU . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 47' ' ' ILE . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD11 HG21 ' A' ' 60' ' ' ILE . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.84 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 64' ' ' PRO . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.59 103.23 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.04 140.65 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -140.33 32.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.83 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 11' ' ' GLY . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p -146.83 136.98 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -58.07 161.93 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.04 -174.02 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 69.88 86.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 17' ' ' VAL . 13.5 p -166.52 44.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.83 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.32 163.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.79 HG21 ' HB1' ' A' ' 37' ' ' ALA . 73.4 p -74.08 177.02 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.786 ' HB3' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.83 HG12 HD12 ' A' ' 3' ' ' ILE . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 41' ' ' VAL . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG12 HD21 ' A' ' 30' ' ' LEU . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 60' ' ' ILE . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 7' ' ' LEU . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.507 ' HE1' HD22 ' A' ' 49' ' ' LEU . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 47' ' ' ILE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.717 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -95.62 153.75 17.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -155.83 158.3 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -141.27 172.52 12.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.931 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 10' ' ' VAL . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -114.83 83.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.53 34.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 117.13 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.4 mtp-105 62.8 123.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.71 -30.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tt -77.81 129.49 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.0 158.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -129.84 106.73 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' VAL . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 25' ' ' VAL . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 3' ' ' ILE . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 HG12 ' A' ' 41' ' ' VAL . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.743 HG23 HD12 ' A' ' 63' ' ' ILE . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 62' ' ' GLN . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HD12 ' A' ' 60' ' ' ILE . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.612 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 7' ' ' LEU . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HE1' HD23 ' A' ' 49' ' ' LEU . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 53' ' ' LYS . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 49' ' ' LEU . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 82' ' ' THR . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 41' ' ' VAL . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG13 ' HD2' ' A' ' 70' ' ' PRO . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 52.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -103.66 -178.17 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.858 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 pttt 46.41 -169.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 41' ' ' VAL . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 3' ' ' ILE . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.2 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' PHE . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 15' ' ' ARG . 12.9 p -57.69 143.05 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.93 -24.27 36.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.594 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 66.19 45.75 2.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.941 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.54 170.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t 66.0 94.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 179.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.85 99.73 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m 60.15 80.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.583 ' CE ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 35' ' ' ALA . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HB2' ' CZ2' ' A' ' 29' ' ' TRP . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.838 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.741 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 2' ' ' ARG . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.649 ' O ' HD13 ' A' ' 47' ' ' ILE . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 60' ' ' ILE . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 48' ' ' SER . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HE2' HD23 ' A' ' 49' ' ' LEU . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' HB2' HD11 ' A' ' 78' ' ' ILE . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 47' ' ' ILE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.71 HD11 HG21 ' A' ' 60' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.545 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -102.3 145.34 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.32 154.57 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -145.48 31.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.727 HG12 HG21 ' A' ' 69' ' ' VAL . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 8' ' ' GLN . 27.5 m -103.5 157.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -133.94 35.91 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.03 92.37 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 109.64 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.13 -67.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.56 -68.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.42 -78.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.329 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.562 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -148.12 172.71 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.971 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.58 ' HA ' HG22 ' A' ' 25' ' ' VAL . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 3' ' ' ILE . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD12 HG12 ' A' ' 41' ' ' VAL . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.437 ' HB2' HD23 ' A' ' 30' ' ' LEU . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.726 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.864 HG12 HD12 ' A' ' 30' ' ' LEU . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 60' ' ' ILE . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 49' ' ' LEU . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' ILE . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 47' ' ' ILE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HG2' HD22 ' A' ' 66' ' ' LEU . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.977 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 66' ' ' LEU . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -92.07 123.91 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.39 113.91 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -152.77 127.89 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.579 ' HG2' HG23 ' A' ' 13' ' ' VAL . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 8' ' ' GLN . 3.3 m -121.73 119.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -121.0 52.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -142.26 168.35 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 85.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t -106.51 29.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -110.78 75.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.11 18.61 10.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.366 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m 52.71 98.96 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.697 HG22 HD12 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 41' ' ' VAL . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 39' ' ' LYS . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD12 ' A' ' 30' ' ' LEU . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 78' ' ' ILE . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 78' ' ' ILE . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD11 ' A' ' 63' ' ' ILE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 60' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 47' ' ' ILE . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -175.71 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m 62.07 155.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -145.36 89.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.819 ' O ' HG13 ' A' ' 10' ' ' VAL . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 6' ' ' PHE . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 15' ' ' ARG . 24.4 t -104.65 130.83 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.32 33.52 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.084 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 13' ' ' VAL . 10.3 ttt180 60.03 111.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -51.93 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.87 177.66 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.54 -31.06 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.85 150.73 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.651 HG21 ' CB ' ' A' ' 37' ' ' ALA . 1.9 t -84.71 115.61 22.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG12 ' HB3' ' A' ' 35' ' ' ALA . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 HD21 ' A' ' 30' ' ' LEU . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 60' ' ' ILE . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.519 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 49' ' ' LEU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 47' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 66' ' ' LEU . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 58' ' ' TYR . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 121.04 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.24 139.05 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.11 155.92 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.792 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.631 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.725 ' HA ' HG12 ' A' ' 13' ' ' VAL . 35.7 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.2 p -92.82 152.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.24 149.18 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 59.19 22.52 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -157.38 71.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 18' ' ' LEU . 1.5 t -108.79 171.28 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' H ' HG12 ' A' ' 17' ' ' VAL . 7.0 mp 63.77 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.168 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 135.18 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.338 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -94.79 108.25 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 30' ' ' LEU . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.495 ' CB ' HD12 ' A' ' 60' ' ' ILE . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 60' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' HE1' ' A' ' 51' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE1' HD23 ' A' ' 49' ' ' LEU . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 55' ' ' ILE . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 47' ' ' ILE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.58 ' CD1' HG21 ' A' ' 60' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 64' ' ' PRO . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 66' ' ' LEU . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -76.23 159.79 30.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.52 151.51 37.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -147.23 146.99 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.88 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.666 ' O ' HG13 ' A' ' 10' ' ' VAL . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.443 HG21 ' HB1' ' A' ' 37' ' ' ALA . 40.2 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.838 0.351 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.691 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.88 HG13 HD12 ' A' ' 3' ' ' ILE . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 41' ' ' VAL . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 HD13 ' A' ' 30' ' ' LEU . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 62' ' ' GLN . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 47' ' ' ILE . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 60' ' ' ILE . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 51' ' ' TYR . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.435 ' HE1' HD22 ' A' ' 49' ' ' LEU . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 47' ' ' ILE . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 60' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 74' ' ' THR . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 69' ' ' VAL . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' A' ' 6' ' ' PHE . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.832 HG21 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 20' ' ' THR . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.847 ' O ' HG13 ' A' ' 10' ' ' VAL . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.847 HG13 ' O ' ' A' ' 6' ' ' PHE . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.607 HG21 ' HB1' ' A' ' 37' ' ' ALA . 16.4 p . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.795 0.331 . . . . 0.0 110.754 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 25' ' ' VAL . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 22' ' ' MET . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.832 HG13 HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG11 ' A' ' 28' ' ' VAL . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 30' ' ' LEU . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 60' ' ' ILE . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.83 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 48' ' ' SER . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 49' ' ' LEU . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 47' ' ' ILE . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 63' ' ' ILE . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 p30 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 10' ' ' VAL . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.679 HD12 HD12 ' A' ' 47' ' ' ILE . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.413 ' HG2' ' CD2' ' A' ' 6' ' ' PHE . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.85 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CD2' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 12' ' ' LEU . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.798 HG21 ' HB1' ' A' ' 37' ' ' ALA . 42.3 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.809 0.338 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.794 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' A' ' 22' ' ' MET . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.85 HG13 HD12 ' A' ' 3' ' ' ILE . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.798 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 6' ' ' PHE . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 78' ' ' ILE . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.724 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 7' ' ' LEU . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 78' ' ' ILE . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 47' ' ' ILE . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 60' ' ' ILE . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 66' ' ' LEU . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 74' ' ' THR . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.484 ' HB ' HG13 ' A' ' 69' ' ' VAL . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 47' ' ' ILE . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 10' ' ' VAL . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 80.0 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' PHE . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 25' ' ' VAL . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 22' ' ' MET . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 30' ' ' LEU . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 60' ' ' ILE . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.733 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 48' ' ' SER . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 55' ' ' ILE . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 78' ' ' ILE . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 47' ' ' ILE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' CA ' ' A' ' 78' ' ' ILE . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 60' ' ' ILE . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 66' ' ' LEU . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 58' ' ' TYR . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.798 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.544 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' ALA . 11.2 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.638 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 22' ' ' MET . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 3' ' ' ILE . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 41' ' ' VAL . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' A' ' 20' ' ' THR . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD11 ' A' ' 30' ' ' LEU . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.552 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 53' ' ' LYS . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.746 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 78' ' ' ILE . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 HG21 ' A' ' 60' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.854 HD11 ' HB2' ' A' ' 58' ' ' TYR . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' OH ' ' A' ' 58' ' ' TYR . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.421 HG21 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.811 0.338 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 35' ' ' ALA . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 41' ' ' VAL . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HD3' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 30' ' ' LEU . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 78' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.882 HD11 HD22 ' A' ' 7' ' ' LEU . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.598 ' OH ' HD21 ' A' ' 12' ' ' LEU . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 45' ' ' ASP . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 60' ' ' ILE . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' PRO . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.563 ' CD1' HG23 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' ' 66' ' ' LEU . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 47' ' ' ILE . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TYR . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 1.084 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.651 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD22 HD21 ' A' ' 49' ' ' LEU . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 37' ' ' ALA . 9.1 t . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.749 0.309 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 1.084 HG13 HD12 ' A' ' 3' ' ' ILE . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 1' ' ' MET . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 60' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.79 ' O ' HD22 ' A' ' 49' ' ' LEU . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.93 HD21 HD22 ' A' ' 7' ' ' LEU . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' LEU . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 47' ' ' ILE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 60' ' ' ILE . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HB2' HD13 ' A' ' 66' ' ' LEU . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.629 HD12 ' HE2' ' A' ' 6' ' ' PHE . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.681 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 10' ' ' VAL . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 10' ' ' VAL . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.0 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.681 HG13 HD12 ' A' ' 3' ' ' ILE . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' HG2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.562 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 HD21 ' A' ' 30' ' ' LEU . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.405 ' O ' HD13 ' A' ' 47' ' ' ILE . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 60' ' ' ILE . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 49' ' ' LEU . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 47' ' ' ILE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 60' ' ' ILE . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' A' ' 66' ' ' LEU . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.971 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.971 HG22 HD11 ' A' ' 66' ' ' LEU . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.625 ' CD2' HD12 ' A' ' 76' ' ' LEU . 1.9 p-80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.49 ' HE2' HG11 ' A' ' 69' ' ' VAL . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 10' ' ' VAL . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.877 0.37 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 3' ' ' ILE . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 30' ' ' LEU . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.537 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 60' ' ' ILE . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.688 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' C ' ' A' ' 48' ' ' SER . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 46' ' ' THR . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 78' ' ' ILE . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 47' ' ' ILE . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 1' ' ' MET . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 69' ' ' VAL . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 10' ' ' VAL . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 58' ' ' TYR . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.914 HD11 HD23 ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.822 ' O ' HG13 ' A' ' 10' ' ' VAL . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 3' ' ' ILE . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 13' ' ' VAL . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 6' ' ' PHE . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' A' ' 8' ' ' GLN . 24.9 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.681 HG21 ' HB1' ' A' ' 37' ' ' ALA . 67.1 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.682 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HA ' HG22 ' A' ' 28' ' ' VAL . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.682 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 22' ' ' MET . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 30' ' ' LEU . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 47' ' ' ILE . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 60' ' ' ILE . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 7' ' ' LEU . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 47' ' ' ILE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.432 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 69' ' ' VAL . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.642 ' CG2' HD12 ' A' ' 66' ' ' LEU . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 69' ' ' VAL . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.661 HD12 ' HE2' ' A' ' 6' ' ' PHE . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.893 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.734 ' O ' HG13 ' A' ' 10' ' ' VAL . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.717 ' HA ' HG22 ' A' ' 13' ' ' VAL . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 8' ' ' GLN . 33.3 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.699 HG21 ' CB ' ' A' ' 37' ' ' ALA . 2.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.782 ' HB3' HG13 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' HG22 ' A' ' 28' ' ' VAL . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HG2' ' A' ' 22' ' ' MET . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.893 HG12 HD12 ' A' ' 3' ' ' ILE . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 41' ' ' VAL . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 30' ' ' LEU . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.699 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 1' ' ' MET . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' HD13 ' A' ' 47' ' ' ILE . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 60' ' ' ILE . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 53' ' ' LYS . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.872 ' N ' HD12 ' A' ' 52' ' ' LEU . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 47' ' ' ILE . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' VAL . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 74' ' ' THR . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.562 ' HB ' HG12 ' A' ' 69' ' ' VAL . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.592 HD12 ' HE2' ' A' ' 6' ' ' PHE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.857 HD11 HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.66 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 3' ' ' ILE . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.461 ' N ' HD12 ' A' ' 7' ' ' LEU . 69.2 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 78' ' ' ILE . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 8' ' ' GLN . 4.2 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.865 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 22' ' ' MET . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 3' ' ' ILE . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 41' ' ' VAL . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 30' ' ' LEU . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 60' ' ' ILE . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.501 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 47' ' ' ILE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 62' ' ' GLN . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.529 HG22 HD21 ' A' ' 66' ' ' LEU . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG12 ' A' ' 69' ' ' VAL . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 10' ' ' VAL . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 10' ' ' VAL . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 49' ' ' LEU . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.62 0.248 . . . . 0.0 110.857 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.594 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 21' ' ' ASP . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 3' ' ' ILE . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.487 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.747 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.71 ' O ' HD13 ' A' ' 47' ' ' ILE . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 60' ' ' ILE . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HE1' HD23 ' A' ' 49' ' ' LEU . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 47' ' ' ILE . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.677 HD11 HG21 ' A' ' 60' ' ' ILE . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.84 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 64' ' ' PRO . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.83 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.676 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.522 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 11' ' ' GLY . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.79 HG21 ' HB1' ' A' ' 37' ' ' ALA . 73.4 p . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.786 ' HB3' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.83 HG12 HD12 ' A' ' 3' ' ' ILE . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 41' ' ' VAL . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG12 HD21 ' A' ' 30' ' ' LEU . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 60' ' ' ILE . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 7' ' ' LEU . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.507 ' HE1' HD22 ' A' ' 49' ' ' LEU . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 47' ' ' ILE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.717 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 10' ' ' VAL . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' VAL . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 25' ' ' VAL . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 3' ' ' ILE . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 HG12 ' A' ' 41' ' ' VAL . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.743 HG23 HD12 ' A' ' 63' ' ' ILE . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 62' ' ' GLN . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HD12 ' A' ' 60' ' ' ILE . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.612 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 7' ' ' LEU . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HE1' HD23 ' A' ' 49' ' ' LEU . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 53' ' ' LYS . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 49' ' ' LEU . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 41' ' ' VAL . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 HG13 ' HD2' ' A' ' 70' ' ' PRO . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' CE1' ' O ' ' A' ' 72' ' ' LYS . 7.6 p-80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 41' ' ' VAL . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 3' ' ' ILE . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 65.5 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' PHE . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.583 HG23 ' CE ' ' A' ' 22' ' ' MET . 12.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.583 ' CE ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 35' ' ' ALA . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HB2' ' CZ2' ' A' ' 29' ' ' TRP . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.838 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.741 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 2' ' ' ARG . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.649 ' O ' HD13 ' A' ' 47' ' ' ILE . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 60' ' ' ILE . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 48' ' ' SER . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HE2' HD23 ' A' ' 49' ' ' LEU . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' HB2' HD11 ' A' ' 78' ' ' ILE . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 47' ' ' ILE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.71 HD11 HG21 ' A' ' 60' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.545 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.727 HG12 HG21 ' A' ' 69' ' ' VAL . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 8' ' ' GLN . 27.5 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.562 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.889 0.376 . . . . 0.0 110.971 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.58 ' HA ' HG22 ' A' ' 25' ' ' VAL . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 3' ' ' ILE . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD12 HG12 ' A' ' 41' ' ' VAL . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.437 ' HB2' HD23 ' A' ' 30' ' ' LEU . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.726 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.864 HG12 HD12 ' A' ' 30' ' ' LEU . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 60' ' ' ILE . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 49' ' ' LEU . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' ILE . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 47' ' ' ILE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HG2' HD22 ' A' ' 66' ' ' LEU . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.977 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 66' ' ' LEU . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.579 ' HG2' HG23 ' A' ' 13' ' ' VAL . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 8' ' ' GLN . 3.3 m . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.697 HG22 HD12 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 41' ' ' VAL . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 39' ' ' LYS . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD12 ' A' ' 30' ' ' LEU . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 78' ' ' ILE . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 78' ' ' ILE . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD11 ' A' ' 63' ' ' ILE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 60' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 47' ' ' ILE . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.819 ' O ' HG13 ' A' ' 10' ' ' VAL . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 6' ' ' PHE . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.651 HG21 ' CB ' ' A' ' 37' ' ' ALA . 1.9 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.869 0.366 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.514 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.803 HG12 ' HB3' ' A' ' 35' ' ' ALA . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 HD21 ' A' ' 30' ' ' LEU . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 60' ' ' ILE . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.519 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 49' ' ' LEU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 47' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 66' ' ' LEU . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 58' ' ' TYR . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.631 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.725 ' HA ' HG12 ' A' ' 13' ' ' VAL . 36.9 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.2 p . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.7 0.286 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 30' ' ' LEU . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.495 ' CB ' HD12 ' A' ' 60' ' ' ILE . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 60' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' HE1' ' A' ' 51' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE1' HD23 ' A' ' 49' ' ' LEU . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 55' ' ' ILE . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 47' ' ' ILE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.58 ' CD1' HG21 ' A' ' 60' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 64' ' ' PRO . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 66' ' ' LEU . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -135.35 158.64 43.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.88 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.88 -26.87 3.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.55 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.7 OUTLIER -67.25 -57.54 6.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.166 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 ttmm -90.56 -4.61 56.76 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.666 ' O ' HG13 ' A' ' 10' ' ' VAL . 63.0 t80 -74.41 -64.56 1.0 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' C ' HD12 ' A' ' 7' ' ' LEU . 4.6 pp -85.78 -13.93 46.72 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 29.2 mt-30 -90.18 -13.27 35.93 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.13 26.81 9.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.751 0.31 . . . . 0.0 111.34 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.666 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.6 m -115.0 -21.39 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.388 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 123.1 5.32 8.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.815 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -60.85 2.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.844 0.354 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.95 110.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.237 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -101.43 127.09 48.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -150.86 172.98 14.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.6 mtt180 -134.56 84.2 2.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG22 ' H ' ' A' ' 19' ' ' ALA . 14.9 p -153.84 135.74 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.7 HD22 ' O ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -78.51 -1.32 33.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.811 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.829 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -116.61 108.83 16.43 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.1 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.443 HG21 ' HB1' ' A' ' 37' ' ' ALA . 40.2 p -59.85 113.21 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -92.99 -28.33 16.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.691 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -56.97 -31.39 64.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 31.7 p -80.15 -22.49 41.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -90.55 -44.86 9.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.3 m -58.69 -28.99 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.46 30.36 5.32 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.435 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.691 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.65 -31.45 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.045 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.88 HG13 HD12 ' A' ' 3' ' ' ILE . 40.2 t -70.25 111.36 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CZ2' ' HB3' ' A' ' 34' ' ' CYS . 8.3 m95 -145.84 114.68 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 HG12 ' A' ' 41' ' ' VAL . 2.6 tp -110.67 130.43 55.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 58.62 38.99 25.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.962 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.49 29.25 74.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -140.47 135.92 32.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 29.1 p -61.13 135.3 57.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 153.86 51.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.57 -165.45 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.443 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.94 29.31 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.194 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.0 m -143.37 26.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.713 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.77 118.73 36.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.92 139.83 52.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG12 HD13 ' A' ' 30' ' ' LEU . 27.0 m -99.39 162.37 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.036 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -127.82 164.69 21.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.419 ' HB1' ' HA ' ' A' ' 62' ' ' GLN . . . -75.74 155.99 35.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.01 27.37 62.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.92 -175.14 2.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 47' ' ' ILE . 85.2 m -110.07 159.56 17.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 60' ' ' ILE . 37.5 mm -139.42 108.23 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.4 m -90.02 154.21 19.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.109 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' HE1' ' A' ' 51' ' ' TYR . 5.1 mt -147.54 128.73 14.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.649 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -103.03 133.8 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.435 ' HE1' HD22 ' A' ' 49' ' ' LEU . 21.3 m-85 -138.91 -176.76 4.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.705 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.527 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -93.23 -13.87 27.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.382 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.17 -24.52 13.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.732 0.301 . . . . 0.0 111.177 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.77 164.93 22.24 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.607 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.2 mm -92.26 151.3 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 111.205 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -136.46 126.26 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -116.01 105.87 13.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.03 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.09 -179.88 5.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 76.5 m -139.01 130.32 26.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.086 HD11 HD11 ' A' ' 47' ' ' ILE . 26.7 mt -79.61 119.53 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.8 mt -81.4 -27.01 34.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' HA ' ' HB1' ' A' ' 43' ' ' ALA . 0.0 OUTLIER -177.67 166.68 2.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.553 HD11 HG21 ' A' ' 60' ' ' ILE . 34.8 mm -116.73 90.47 31.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 58.5 Cg_endo -71.38 -11.43 28.49 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.52 2.147 . . . . 0.0 112.57 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.78 51.5 3.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.926 0.393 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -104.05 160.41 14.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.5 tttm -89.64 -63.42 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -125.87 95.49 4.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 74' ' ' THR . 12.2 t -78.15 111.08 15.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.17 -167.96 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.383 2.056 . . . . 0.0 112.296 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.2 mtt180 -90.23 51.85 2.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -133.19 -57.21 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.64 26.27 10.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 69' ' ' VAL . 10.1 t -99.74 28.69 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.87 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -129.47 13.55 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.274 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.2 9.64 4.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.233 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 33.3 m-85 -117.24 -28.96 6.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.768 0.318 . . . . 0.0 111.114 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.611 HD12 ' HE2' ' A' ' 6' ' ' PHE . 11.3 tt -151.23 139.81 14.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.07 152.06 33.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -68.02 120.42 7.41 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.57 2.18 . . . . 0.0 112.216 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.56 146.94 38.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 t -164.41 161.76 21.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -135.8 103.68 5.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.957 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.851 0.358 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.9 OUTLIER -120.96 150.3 41.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.832 HG21 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.28 -28.15 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.618 179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.437 ' OD1' HG22 ' A' ' 20' ' ' THR . 32.1 t70 -66.43 -58.01 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.258 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ttmm -90.5 -4.46 56.92 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.847 ' O ' HG13 ' A' ' 10' ' ' VAL . 23.6 t80 -75.38 -68.48 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -79.67 -12.44 59.81 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 30.3 mt-30 -89.99 -17.92 26.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.712 0.291 . . . . 0.0 111.216 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.4 m -100.68 -28.3 12.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.991 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.847 HG13 ' O ' ' A' ' 6' ' ' PHE . 21.3 m -55.61 -30.47 26.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.248 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 126.63 -3.69 7.57 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.898 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -63.49 -66.11 0.59 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.807 0.337 . . . . 0.0 110.868 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.6 m -110.63 135.58 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 -174.73 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.967 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 60.13 76.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.64 -52.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t 65.14 96.12 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.477 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.1 mt 60.1 -176.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.034 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 18' ' ' LEU . . . 71.95 118.74 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.25 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.607 HG21 ' HB1' ' A' ' 37' ' ' ALA . 16.4 p -120.17 100.66 7.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.754 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.79 -29.88 13.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.043 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.492 ' HA ' HG22 ' A' ' 25' ' ' VAL . 7.5 mtt -57.34 -27.66 62.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 30.3 p -75.62 -26.39 57.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.88 -47.61 8.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.112 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 22' ' ' MET . 27.0 m -57.52 -31.7 39.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.257 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.27 23.71 4.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.61 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -88.0 -29.54 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.832 HG13 HG21 ' A' ' 3' ' ' ILE . 93.2 t -81.92 108.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.4 m95 -146.25 109.3 4.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.552 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' HG ' HG12 ' A' ' 41' ' ' VAL . 0.6 OUTLIER -100.71 132.88 45.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.01 -179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 57.48 40.12 27.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.002 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.79 28.41 71.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.438 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.16 144.57 45.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.48 118.81 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.651 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.05 166.71 11.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' HG11 ' A' ' 28' ' ' VAL . 5.7 tttt -103.68 -172.63 2.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -94.53 27.15 3.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.298 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.5 27.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.828 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 123.85 45.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.772 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -66.59 147.28 53.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 HG12 ' HG ' ' A' ' 30' ' ' LEU . 15.3 m -126.77 144.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.84 172.49 6.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.59 126.91 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.4 28.48 8.48 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.416 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.584 ' HB2' HD12 ' A' ' 60' ' ' ILE . 5.6 m-20 -106.89 154.41 21.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.855 0.36 . . . . 0.0 110.82 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.8 m -95.49 116.72 29.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.746 HD11 ' CG1' ' A' ' 60' ' ' ILE . 30.1 mt -99.35 100.18 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.83 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -83.18 148.26 27.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.98 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.83 HD22 ' O ' ' A' ' 48' ' ' SER . 3.1 mm? -138.64 138.45 37.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -99.65 112.79 24.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -119.2 -177.51 3.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.73 -35.13 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.026 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -79.92 -29.65 39.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.988 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.53 168.0 17.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.511 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.433 HG23 ' O ' ' A' ' 49' ' ' LEU . 26.6 mm -74.79 133.2 32.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -86.24 -50.25 7.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.721 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 62.04 91.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.037 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.402 ' HB2' ' HB ' ' A' ' 47' ' ' ILE . 18.2 m-85 -96.09 -179.91 4.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.653 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 55.3 m -148.17 123.6 10.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 63' ' ' ILE . 26.6 mt -75.59 131.71 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.977 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 86.0 mt -106.57 -9.51 16.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.341 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -178.83 157.46 0.91 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.818 0.342 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 18.6 mm -124.45 88.23 53.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.045 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 57.1 Cg_endo -70.52 -10.92 28.98 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.621 2.214 . . . . 0.0 112.52 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.47 56.67 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 111.074 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mt -116.44 172.52 7.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -103.51 6.28 37.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.4 p30 178.18 146.65 0.14 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.793 0.33 . . . . 0.0 110.769 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' A' ' 10' ' ' VAL . 4.3 t -125.6 132.0 24.19 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.4 178.79 5.73 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.439 2.093 . . . . 0.0 112.172 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -94.97 43.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.91 -45.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.026 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 7.6 m-20 -116.51 22.04 13.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.5 t -87.85 6.66 34.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.331 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -98.97 -13.6 19.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.709 0.29 . . . . 0.0 111.295 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 mt -101.69 8.88 41.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.326 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 62.4 m-85 -114.52 -35.24 4.97 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.679 HD12 HD12 ' A' ' 47' ' ' ILE . 18.3 tt -153.88 136.01 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.86 128.49 12.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.6 106.43 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.416 2.078 . . . . 0.0 112.255 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.61 80.44 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.548 HG23 ' HG2' ' A' ' 83' ' ' LYS . 4.7 t -143.03 178.67 7.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.548 ' HG2' HG23 ' A' ' 82' ' ' THR . 0.0 OUTLIER 43.23 88.83 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.468 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.869 179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' HG2' ' CD2' ' A' ' 6' ' ' PHE . 3.4 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.848 0.356 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 mtt180 -140.01 147.92 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.85 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.75 -26.88 2.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.413 179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.453 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.6 p30 -69.06 -51.57 37.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.68 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm -90.89 -4.73 56.32 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.479 ' CD2' HG21 ' A' ' 41' ' ' VAL . 4.1 t80 -80.13 -69.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.795 ' CD2' HD11 ' A' ' 49' ' ' LEU . 4.4 pp -75.13 -12.49 60.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.772 0.32 . . . . 0.0 111.756 -178.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.453 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 66.0 mt-30 -90.12 -20.71 22.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -88.54 -41.6 12.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG23 ' H ' ' A' ' 12' ' ' LEU . 15.3 m -52.25 -26.53 8.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.418 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.79 1.05 25.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.866 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 ' H ' HG23 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -59.19 -47.8 83.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -123.35 148.05 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.19 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -78.73 175.16 10.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.5 mtm-85 -69.37 175.63 3.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -134.5 155.83 49.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -87.54 -29.46 5.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.135 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -169.68 1.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -178.94 3.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.798 HG21 ' HB1' ' A' ' 37' ' ' ALA . 42.3 p -59.2 104.89 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -97.1 -30.1 13.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.794 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 4.4 ttm -56.12 -24.23 39.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.45 -19.25 56.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.405 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -99.82 -43.86 6.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.704 0.288 . . . . 0.0 111.274 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG22 ' HA ' ' A' ' 22' ' ' MET . 36.0 m -53.97 -32.44 22.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 0.0 111.397 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.53 22.54 6.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.579 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -92.76 -30.73 15.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.858 0.361 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.85 HG13 HD12 ' A' ' 3' ' ' ILE . 41.5 t -79.93 105.99 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -144.0 116.96 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 tp -106.49 132.23 52.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.062 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 58.28 37.79 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.57 28.51 72.59 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.8 p -135.91 144.93 45.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 p -59.0 133.21 55.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.37 167.24 21.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.85 -166.54 1.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.798 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.97 27.53 3.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.226 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 m -147.09 27.54 1.05 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -99.78 108.63 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.822 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.24 131.03 49.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.479 HG21 ' CD2' ' A' ' 6' ' ' PHE . 30.8 m -88.09 169.55 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.133 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -139.08 155.0 48.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.62 133.58 53.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.87 32.09 33.81 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.43 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 60' ' ' ILE . 0.5 OUTLIER -110.89 160.85 16.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.781 0.324 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.1 m -97.71 121.45 39.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.952 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 78' ' ' ILE . 25.6 mt -101.78 100.46 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.124 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.724 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.6 t -82.94 138.11 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.973 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.795 HD11 ' CD2' ' A' ' 7' ' ' LEU . 4.1 mm? -135.89 142.66 44.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.939 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -98.81 121.08 40.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.42 -177.91 3.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.84 -32.58 63.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -94.54 8.73 41.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.461 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.85 -155.0 16.69 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.572 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.2 mp -101.91 136.05 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -85.17 -47.81 9.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.795 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 63.84 97.59 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.071 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.461 ' HB2' HD11 ' A' ' 78' ' ' ILE . 10.3 m-85 -103.46 -179.79 4.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.708 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 95.2 m -144.17 126.24 15.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.018 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.829 HG12 HD11 ' A' ' 47' ' ' ILE . 31.1 mt -76.56 121.89 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 71.6 mt -87.79 -16.48 34.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -178.4 167.97 1.85 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 HG21 ' A' ' 60' ' ' ILE . 23.7 mm -128.27 83.98 64.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 66' ' ' LEU . 57.1 Cg_endo -69.99 -9.89 27.08 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.633 2.222 . . . . 0.0 112.521 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.36 55.11 2.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.915 0.388 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' VAL . 0.5 OUTLIER -103.54 -172.11 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -119.75 -38.65 2.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -156.63 120.42 4.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG13 ' HB ' ' A' ' 74' ' ' THR . 8.1 p -101.25 136.03 19.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.309 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -61.45 -156.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.442 2.095 . . . . 0.0 112.01 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.78 54.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.903 0.382 . . . . 0.0 110.837 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -148.27 -49.05 0.16 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.996 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.1 -12.77 21.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.484 ' HB ' HG13 ' A' ' 69' ' ' VAL . 7.9 t -58.14 -20.38 40.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -93.75 24.87 3.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.07 1.07 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.461 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.417 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 58.2 m-85 -116.9 -20.87 9.23 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.625 0.25 . . . . 0.0 111.415 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.934 HD12 HD12 ' A' ' 47' ' ' ILE . 17.7 tt -154.15 148.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.99 23.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.047 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.14 111.66 2.94 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.521 2.147 . . . . 0.0 112.205 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -59.48 102.93 0.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -114.14 -178.81 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 pttt 43.38 72.53 0.18 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.811 0.338 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -137.31 153.45 50.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.773 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.98 -28.53 4.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.418 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.432 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -60.82 -58.9 6.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.743 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.478 ' O ' HG13 ' A' ' 10' ' ' VAL . 59.0 t80 -73.9 -64.65 0.96 Allowed 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.733 HD21 HD11 ' A' ' 3' ' ' ILE . 4.4 pp -87.99 -13.48 41.59 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 80.0 mt-30 -87.95 -24.42 23.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.703 0.287 . . . . 0.0 111.337 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -86.03 -32.77 21.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 6' ' ' PHE . 29.3 m -64.82 -28.86 45.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 108.54 45.13 1.08 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.431 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.27 -39.13 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.4 p -64.75 149.7 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.386 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -94.45 -165.01 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.751 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.36 160.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -108.57 60.14 0.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.769 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 18.9 m -147.67 154.46 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.87 -27.39 22.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.93 137.46 45.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.214 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -83.8 110.71 18.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.48 -28.12 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 25' ' ' VAL . 4.6 mmt -53.05 -29.23 28.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 28.0 p -64.58 -20.87 66.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.052 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.23 -50.15 5.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.972 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 22' ' ' MET . 20.7 m -58.53 -29.94 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 109.24 20.18 8.03 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.637 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.5 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.86 31.05 2.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.826 0.346 . . . . 0.0 111.105 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.502 HG13 HD12 ' A' ' 3' ' ' ILE . 40.7 t -134.93 108.16 9.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.401 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 17.7 m95 -139.43 106.56 5.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 HG12 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -89.15 122.39 32.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -67.46 0.22 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 165.17 50.19 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.507 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.6 m -159.41 29.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.7 t 60.57 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -158.92 163.05 36.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.21 -163.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.755 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -94.55 27.51 2.97 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.204 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.4 m -148.8 28.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -101.34 125.28 47.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -73.53 151.24 41.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.505 HG12 HD21 ' A' ' 30' ' ' LEU . 16.0 m -115.69 157.72 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.6 mtpp -126.83 -178.64 4.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.65 138.77 31.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.188 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.67 27.93 58.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.77 166.48 10.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -102.3 131.25 49.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 60' ' ' ILE . 40.2 mm -115.08 99.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.733 ' O ' HD22 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -87.12 147.52 25.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.834 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 48' ' ' SER . 3.5 mm? -131.46 152.56 50.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.773 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -105.39 126.03 51.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -133.03 -177.46 4.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.79 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.53 -35.83 16.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -25.78 41.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.002 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.422 ' C ' HD12 ' A' ' 55' ' ' ILE . . . 159.82 -139.05 5.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.536 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.631 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -126.28 149.59 31.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.114 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -98.31 -52.3 3.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 63.54 102.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.974 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.587 ' HB2' HD11 ' A' ' 78' ' ' ILE . 25.0 m-85 -109.37 -179.92 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 93.1 m -142.12 127.47 18.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.919 HD11 HD11 ' A' ' 47' ' ' ILE . 23.6 mt -76.31 126.13 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.923 0.392 . . . . 0.0 111.013 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.414 HD12 ' CA ' ' A' ' 78' ' ' ILE . 2.0 mp -93.58 -16.06 24.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.273 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.1 tt0 -179.05 169.92 1.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.889 0.376 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.652 HD11 HG21 ' A' ' 60' ' ' ILE . 31.8 mm -129.61 93.36 35.19 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.037 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.782 ' HB2' HD13 ' A' ' 66' ' ' LEU . 52.7 Cg_endo -69.07 -13.22 35.99 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.534 2.156 . . . . 0.0 112.573 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.44 32.57 21.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.6 mp -89.85 -174.02 4.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp -105.55 -47.85 3.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.003 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -136.78 145.09 44.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.938 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.4 t -128.37 117.98 20.23 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.61 -175.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.389 2.06 . . . . 0.0 112.276 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.4 ptt85 -97.21 30.93 2.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.099 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -124.37 -44.24 2.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -106.8 27.19 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.0 t -92.84 -10.76 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.381 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -95.06 22.56 6.48 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.688 0.28 . . . . 0.0 111.225 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.47 -4.75 9.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.411 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 38.0 m-85 -110.9 -23.51 10.94 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.667 0.27 . . . . 0.0 111.115 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.587 HD11 ' HB2' ' A' ' 58' ' ' TYR . 0.9 OUTLIER -150.96 140.87 15.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.878 0.37 . . . . 0.0 111.289 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.12 129.19 9.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.927 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 85.9 Cg_exo -46.97 125.14 9.63 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.558 2.172 . . . . 0.0 112.543 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 101.58 8.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -150.79 152.72 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -144.65 157.9 44.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.893 -179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ttt . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.66 145.96 47.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.798 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -43.18 -30.24 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.537 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 8.0 t0 -64.53 -59.06 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.268 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -90.35 -4.69 56.92 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.544 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 3.6 t80 -75.21 -63.58 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -83.62 -16.12 46.43 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 30.0 mt-30 -90.19 -20.57 22.89 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -108.11 21.22 17.67 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.651 0.263 . . . . 0.0 111.477 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 6' ' ' PHE . 3.3 m -113.79 -22.47 4.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.713 0.292 . . . . 0.0 111.329 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 120.84 36.57 0.76 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.366 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.74 -43.93 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.947 0.403 . . . . 0.0 110.588 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 14' ' ' LYS . 39.4 t -125.07 158.53 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -107.71 -177.47 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 61.34 156.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.41 -175.61 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.807 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 18' ' ' LEU . 11.0 t 68.09 161.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 17' ' ' VAL . 2.2 mp 66.47 -76.1 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.86 164.15 3.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.193 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.607 HG22 ' HB2' ' A' ' 37' ' ' ALA . 11.2 t -106.37 175.87 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -110.43 -28.96 8.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.022 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.638 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.1 mpp? -55.19 -33.61 63.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.052 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.9 p -65.36 -23.59 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -90.72 -49.71 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 0.0 110.993 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 22' ' ' MET . 25.8 m -60.47 -37.18 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.314 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 119.29 35.52 0.93 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.542 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.56 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -116.01 29.41 7.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.71 0.29 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG13 HD12 ' A' ' 3' ' ' ILE . 41.3 t -137.32 93.64 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 34' ' ' CYS . 14.6 m95 -133.4 119.13 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 41' ' ' VAL . 2.1 tt -96.19 119.17 34.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.29 48.59 12.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.038 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.47 31.78 78.74 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.7 133.89 36.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 29' ' ' TRP . 1.8 t -57.93 116.74 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.99 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -124.0 154.88 39.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.1 -161.98 0.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.755 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.607 ' HB2' HG22 ' A' ' 20' ' ' THR . . . -93.85 27.8 2.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.339 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.0 m -142.03 27.46 1.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.61 119.93 34.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -85.09 115.12 22.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD11 ' A' ' 30' ' ' LEU . 16.1 m -84.54 167.72 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -178.4 4.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.75 143.11 46.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.97 28.23 73.2 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.543 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.552 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.7 m-20 -105.66 167.38 9.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 110.811 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m -100.33 144.37 29.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 43.4 mm -125.45 99.55 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.672 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -82.23 148.47 28.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.334 -179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.621 HD11 HD22 ' A' ' 7' ' ' LEU . 1.4 mt -145.55 135.28 23.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.721 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -98.55 125.39 43.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -124.94 175.13 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.746 HD12 ' N ' ' A' ' 53' ' ' LYS . 4.0 pp -71.74 -46.59 58.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.746 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -68.85 -31.13 69.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.972 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.67 -156.05 25.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.616 ' N ' HD12 ' A' ' 55' ' ' ILE . 1.4 mp -120.69 134.34 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.929 0.395 . . . . 0.0 111.016 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -130.36 124.71 32.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.709 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -109.74 125.66 52.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.854 ' HB2' HD11 ' A' ' 78' ' ' ILE . 19.6 m-85 -94.58 -179.47 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.711 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.9 m -138.05 127.0 24.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 8.3 mt -77.38 128.47 38.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.917 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 92.9 mt -97.79 -14.81 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.381 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.87 160.15 1.82 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.783 0.325 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.751 HD11 HG21 ' A' ' 60' ' ' ILE . 26.1 mm -123.7 87.74 52.35 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.055 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 55.3 Cg_endo -69.63 -10.96 29.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.52 2.147 . . . . 0.0 112.623 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.51 53.14 4.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.892 0.377 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -102.95 178.16 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -108.17 -31.09 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -159.62 115.8 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.3 136.39 40.47 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.023 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -59.1 -175.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.496 2.131 . . . . 0.0 112.302 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.74 33.12 2.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.22 -46.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.966 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -98.43 29.56 3.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.7 t -97.83 30.44 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -141.73 21.6 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.2 -6.3 9.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.438 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 36.4 m-85 -107.09 -19.57 13.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.671 0.272 . . . . 0.0 111.202 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.854 HD11 ' HB2' ' A' ' 58' ' ' TYR . 13.3 tt -150.42 150.01 13.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.853 0.359 . . . . 0.0 111.099 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -149.3 138.81 12.83 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 51.9 Cg_exo -54.26 127.95 27.97 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.462 2.108 . . . . 0.0 112.369 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -132.17 65.72 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.23 155.14 46.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -157.03 34.05 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.978 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.875 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.841 0.353 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.8 mmt85 -122.34 132.89 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.92 -27.14 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.754 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 7.3 t70 -64.34 -59.95 3.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.927 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm -90.36 -4.67 56.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.427 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 42.0 t80 -73.52 -67.48 0.58 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.882 HD22 HD11 ' A' ' 49' ' ' LEU . 4.4 pp -81.6 -12.19 58.84 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 34.0 mt-30 -90.15 -13.27 36.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.573 0.225 . . . . 0.0 111.464 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.0 p -115.28 24.94 11.23 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.686 0.279 . . . . 0.0 111.229 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 ' CG2' ' HA ' ' A' ' 7' ' ' LEU . 3.9 m -120.63 -43.44 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.23 42.75 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.392 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.598 HD21 ' OH ' ' A' ' 58' ' ' TYR . 3.8 mt -123.91 -46.0 1.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 0.0 110.584 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.3 t -119.94 144.2 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.014 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -104.37 99.74 9.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.025 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -157.82 124.88 5.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.766 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -107.03 -77.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG13 ' O ' ' A' ' 17' ' ' VAL . 11.3 p -111.61 61.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.82 155.93 45.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.33 133.6 46.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.421 HG21 ' HB1' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -58.62 115.3 2.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.992 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -104.91 -23.49 12.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.998 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.597 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -56.33 -34.71 66.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 19.9 p -68.91 -13.52 62.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.53 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -105.9 -50.32 3.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.676 0.274 . . . . 0.0 111.124 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.4 m -55.57 -34.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.322 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.3 49.74 1.11 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.91 -33.11 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 35' ' ' ALA . 7.5 p -68.38 126.83 29.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.19 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 16.1 m95 -145.32 100.42 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.718 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 41' ' ' VAL . 3.2 tt -94.06 116.75 29.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.2 t30 60.53 46.54 9.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.5 37.4 94.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 t -154.94 135.41 13.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.868 0.366 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 p -58.99 133.15 55.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.477 ' HB3' HG22 ' A' ' 28' ' ' VAL . . . -117.83 -171.82 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.97 -167.37 1.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.725 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.421 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -97.63 27.11 4.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.173 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.52 29.06 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.984 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.516 ' HD3' HD13 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -99.79 104.02 15.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.71 126.62 28.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.986 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HA ' HD11 ' A' ' 30' ' ' LEU . 23.2 m -80.96 178.87 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.35 159.83 41.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.5 145.5 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.98 25.55 74.29 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.55 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.617 ' HB2' HD12 ' A' ' 60' ' ' ILE . 1.0 OUTLIER -96.95 168.81 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.732 0.301 . . . . 0.0 110.701 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.0 m -110.13 114.92 28.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.977 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 78' ' ' ILE . 22.2 mt -102.76 105.69 18.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.254 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.424 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.1 OUTLIER -94.4 157.76 15.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.648 179.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.882 HD11 HD22 ' A' ' 7' ' ' LEU . 1.9 mp -141.54 138.4 32.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.954 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -100.86 137.02 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -141.45 -178.59 5.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -86.63 -29.0 22.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -29.57 25.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.85 -157.44 27.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.554 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.6 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -129.96 144.37 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 111.145 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -127.22 125.63 41.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.786 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 22.8 tt0 -104.84 104.98 14.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.006 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.598 ' OH ' HD21 ' A' ' 12' ' ' LEU . 69.4 m-85 -91.75 -179.72 5.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.4 m -147.89 128.34 14.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.617 HD12 ' HB2' ' A' ' 45' ' ' ASP . 24.7 mt -76.53 128.51 37.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 26.6 mt -92.15 -19.95 21.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.058 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.86 161.24 0.95 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.518 ' CD1' HG21 ' A' ' 60' ' ' ILE . 27.6 mm -116.42 85.75 16.78 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 79.0 Cg_endo -76.88 -2.4 12.63 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.728 2.285 . . . . 0.0 112.711 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 64' ' ' PRO . . . 67.2 31.46 6.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.996 0.427 . . . . 0.0 110.435 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.563 ' CD1' HG23 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -64.23 170.23 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.308 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -129.26 -44.33 1.27 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -161.1 74.45 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' ' 66' ' ' LEU . 24.3 t -78.02 122.71 85.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -56.88 -162.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.297 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -95.81 89.79 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -165.85 -67.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -111.25 29.5 7.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -104.66 31.34 4.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -121.96 -1.26 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.482 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.37 20.68 17.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.665 0.269 . . . . 0.0 111.219 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 29.6 m-85 -117.23 -30.33 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.06 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.739 HD12 HD12 ' A' ' 47' ' ' ILE . 13.0 tt -152.62 137.47 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.56 150.17 42.88 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.279 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.405 ' HA ' ' HA ' ' A' ' 58' ' ' TYR . 46.8 Cg_endo -68.49 105.93 1.34 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.61 2.207 . . . . 0.0 112.289 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -59.94 129.29 41.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.21 127.81 24.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -144.8 142.14 29.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.611 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.749 0.309 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.19 147.27 41.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 1.084 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -45.72 -29.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.544 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.8 OUTLIER -63.46 -59.01 5.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.18 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.65 -4.61 56.67 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.651 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 47.3 t80 -74.21 -68.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD22 HD21 ' A' ' 49' ' ' LEU . 4.4 pp -80.2 -12.99 59.58 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.027 0.381 . . . . 0.0 112.027 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 21.6 mt-30 -90.12 -13.09 36.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.686 0.279 . . . . 0.0 111.34 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -103.19 -35.15 8.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.339 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.3 m -56.39 -40.42 66.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 127.0 40.53 0.34 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.71 -60.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.735 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.1 m -131.62 76.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.46 114.86 29.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -152.69 -61.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.21 154.19 20.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.77 -48.41 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.22 -67.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.803 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.26 157.25 16.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.997 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.467 HG21 ' HB2' ' A' ' 37' ' ' ALA . 9.1 t -103.35 -49.24 3.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' N ' HG23 ' A' ' 20' ' ' THR . 0.6 OUTLIER 75.13 -53.23 0.66 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.578 179.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.586 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 4.7 mmt -44.0 -43.15 6.48 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 20.3 p -59.06 -25.71 63.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.329 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -90.35 -55.98 3.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.327 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -53.3 -32.36 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.5 -179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 116.12 23.52 4.19 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.751 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.586 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -99.41 32.17 2.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.374 . . . . 0.0 110.925 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 1.084 HG13 HD12 ' A' ' 3' ' ' ILE . 38.4 t -144.18 94.86 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -134.91 131.68 37.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.688 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.4 118.3 34.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.115 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.89 46.19 22.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 39.14 95.56 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.539 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 m -148.58 129.34 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -58.79 134.17 56.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -139.55 152.56 46.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -75.21 -165.74 0.43 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.778 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' A' ' 20' ' ' THR . . . -97.15 26.94 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.2 m -146.63 26.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.1 113.15 25.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.18 145.28 47.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.053 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 1' ' ' MET . 30.4 m -118.21 -179.23 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.03 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 173.21 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.99 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.99 144.48 48.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.03 28.97 67.54 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.443 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -107.36 167.76 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.27 140.77 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 60' ' ' ILE . 48.2 mm -121.68 99.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.79 ' O ' HD22 ' A' ' 49' ' ' LEU . 3.1 t -84.32 146.03 27.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.428 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.93 HD21 HD22 ' A' ' 7' ' ' LEU . 3.2 mm? -140.32 148.71 41.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.51 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -95.93 138.86 32.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 33.2 m-85 -134.71 -177.31 4.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.32 -36.74 15.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.36 19.21 8.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.67 -152.2 20.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.407 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' LEU . 11.8 mm -125.4 128.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 111.045 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 51' ' ' TYR . 2.9 mm-40 -117.55 125.39 50.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.626 179.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -114.24 159.33 20.26 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.219 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 58' ' ' TYR . 2.9 m-85 -126.03 -179.64 4.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.528 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 77.7 m -138.9 125.09 20.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.878 HD11 HD11 ' A' ' 47' ' ' ILE . 34.6 mt -77.69 123.81 35.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 88.7 mt -89.94 -18.18 26.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.04 167.34 2.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 60' ' ' ILE . 25.9 mm -124.49 90.0 51.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.698 ' HB2' HD13 ' A' ' 66' ' ' LEU . 50.6 Cg_endo -68.94 -12.36 34.2 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.522 2.148 . . . . 0.0 112.617 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.27 48.37 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' HB2' ' A' ' 64' ' ' PRO . 5.5 mp -101.14 174.78 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -101.7 -37.33 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -155.4 105.5 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.6 t -86.48 112.81 49.03 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.049 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.36 165.09 2.44 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.5 2.134 . . . . 0.0 112.314 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.46 76.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -43.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 57.8 m-20 -100.4 29.74 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.1 t -116.72 33.38 5.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -110.12 -25.82 10.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.084 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.72 19.22 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.205 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 73' ' ' ASP . 19.5 m-85 -118.84 -36.86 3.35 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.954 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.629 HD12 ' HE2' ' A' ' 6' ' ' PHE . 16.8 tt -152.57 139.78 13.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.36 137.0 12.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -54.86 127.71 27.38 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.512 2.141 . . . . 0.0 112.306 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.25 97.46 7.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.821 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.6 135.33 50.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -132.45 168.42 18.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.803 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.792 0.33 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.88 160.97 39.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.681 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.54 -23.56 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.458 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 66.0 t0 -72.57 -55.37 7.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.144 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.57 -4.44 56.87 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.72 ' O ' HG13 ' A' ' 10' ' ' VAL . 60.4 t80 -78.31 -67.01 0.78 Allowed 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HA ' HG22 ' A' ' 10' ' ' VAL . 4.7 pp -80.31 -12.66 59.58 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -178.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.42 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 67.1 mt-30 -90.05 -26.91 20.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.804 0.335 . . . . 0.0 111.282 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.2 m -90.16 -35.98 15.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.8 m -60.79 -36.53 71.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.189 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 119.11 56.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.413 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.03 -43.9 1.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.379 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 14' ' ' LYS . 32.0 t -129.07 156.02 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.033 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' N ' HG12 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -80.49 123.59 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -79.34 62.27 3.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.94 111.13 3.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' N ' ' A' ' 18' ' ' LEU . 11.4 t 60.17 158.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' N ' HG12 ' A' ' 17' ' ' VAL . 5.2 mp -59.18 -42.58 91.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.76 124.29 23.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.6 m -98.72 98.66 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.866 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.3 -17.61 64.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.256 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.45 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.39 -29.11 47.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.219 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 24.9 p -76.15 -31.04 58.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -78.05 -41.3 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.0 m -66.07 -33.57 64.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.02 15.34 6.72 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.626 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.18 -48.21 16.39 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.765 0.316 . . . . 0.0 111.052 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.681 HG13 HD12 ' A' ' 3' ' ' ILE . 57.4 t -64.86 112.73 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 8.4 m95 -140.09 111.12 6.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.759 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' HG2' ' A' ' 39' ' ' LYS . 0.8 OUTLIER -104.72 132.65 50.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 59.64 26.87 15.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 56.7 36.36 71.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.576 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.21 26.21 2.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.8 t 61.97 151.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.944 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -160.58 153.15 20.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.562 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -81.47 -164.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.814 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.19 27.03 3.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.2 m -146.65 29.54 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.92 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.599 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -92.44 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.937 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.01 132.68 53.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG12 HD21 ' A' ' 30' ' ' LEU . 27.6 m -109.01 158.68 8.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.6 pttt -135.26 -179.6 5.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.22 153.25 40.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.962 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.28 24.34 58.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.563 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -94.29 175.97 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.819 0.342 . . . . 0.0 110.825 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.405 ' O ' HD13 ' A' ' 47' ' ' ILE . 86.2 m -111.24 136.8 49.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.054 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 60' ' ' ILE . 34.6 mm -123.67 102.58 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.5 OUTLIER -90.25 156.33 18.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.178 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' CD1' ' HB1' ' A' ' 27' ' ' ALA . 0.1 OUTLIER -141.38 151.28 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.578 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 27' ' ' ALA . 34.4 t60 -112.57 126.4 55.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.045 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -133.89 -178.01 4.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.844 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -85.94 -30.26 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.967 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 pttt -81.4 -30.71 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.03 172.1 31.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.506 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 49' ' ' LEU . 17.7 mm -87.57 144.67 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 111.083 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -124.77 126.39 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -109.83 106.51 16.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.081 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.81 -179.82 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.1 m -143.24 130.59 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.98 HD11 HD11 ' A' ' 47' ' ' ILE . 25.2 mt -76.95 123.1 32.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.8 mt -83.63 -23.75 31.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -176.92 165.18 2.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.27 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.932 HD11 HG21 ' A' ' 60' ' ' ILE . 18.7 mm -130.57 88.73 46.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.442 ' HG2' HD22 ' A' ' 66' ' ' LEU . 41.6 Cg_endo -67.37 -12.22 35.03 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.564 2.176 . . . . 0.0 112.423 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.08 53.58 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.971 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -109.85 -170.84 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.66 -66.83 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -128.27 150.28 50.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.971 HG22 HD11 ' A' ' 66' ' ' LEU . 5.4 t -124.69 129.43 24.62 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.01 -178.68 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.327 2.018 . . . . 0.0 112.134 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mtp-105 -101.48 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.83 -50.38 0.83 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.72 29.54 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -88.39 -6.81 57.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.366 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.625 ' CD2' HD12 ' A' ' 76' ' ' LEU . 1.9 p-80 -95.72 22.05 7.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.658 0.266 . . . . 0.0 111.184 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 75' ' ' HIS . 1.3 mp -120.92 11.09 10.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.246 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.49 ' HE2' HG11 ' A' ' 69' ' ' VAL . 35.6 m-85 -120.8 -29.39 4.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.68 0.276 . . . . 0.0 111.27 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.77 141.5 19.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.833 0.349 . . . . 0.0 111.027 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -148.82 150.03 31.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -69.38 118.81 5.9 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.614 2.21 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -90.76 53.5 2.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.33 131.0 13.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -137.89 32.18 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.272 -0.87 . . . . 0.0 110.88 -179.929 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 41' ' ' VAL . 1.9 tpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.74 0.305 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HA ' HG22 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -136.66 139.95 42.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.865 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -48.59 -39.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.334 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 0.6 OUTLIER -53.09 -59.24 4.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.588 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -90.36 -4.44 57.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.776 ' O ' HG13 ' A' ' 10' ' ' VAL . 30.7 t80 -75.11 -64.23 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.664 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -85.82 -14.17 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.44 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 36.0 mt-30 -90.13 -16.24 29.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.574 0.225 . . . . 0.0 111.409 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.8 m -101.88 -34.63 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.706 0.289 . . . . 0.0 110.946 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.776 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.8 m -55.78 -32.71 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.24 34.77 1.18 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.591 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.63 -45.44 6.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.02 109.79 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -154.06 140.99 19.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -144.78 -64.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 17.6 ptt85 -156.82 -46.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.7 HG22 ' H ' ' A' ' 19' ' ' ALA . 11.3 p -79.45 145.38 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.3 -23.37 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.7 ' H ' HG22 ' A' ' 17' ' ' VAL . . . -56.35 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 t -125.86 129.41 49.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.097 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -112.87 -26.43 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.989 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.566 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -54.75 -40.13 69.03 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.116 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.1 p -63.57 -27.59 69.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.085 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -85.7 -53.01 5.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.132 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.566 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.7 m -58.17 -37.17 60.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.84 30.16 2.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.615 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -87.35 -38.23 16.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.858 0.361 . . . . 0.0 111.024 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.865 HG13 HD12 ' A' ' 3' ' ' ILE . 54.2 t -66.14 112.14 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -142.01 112.44 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.991 HD11 HG12 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -101.68 144.38 30.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.7 p30 43.97 36.48 1.42 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.436 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.58 34.07 77.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.449 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.93 148.07 36.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.77 0.319 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 19.3 p -63.04 128.27 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.89 149.91 49.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.067 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -80.65 -163.1 0.53 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.46 27.84 2.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.786 0.327 . . . . 0.0 111.21 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.2 27.04 2.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.819 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -90.07 141.25 28.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.798 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.96 130.49 37.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 30' ' ' LEU . 7.7 m -106.12 179.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 172.48 18.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 132.0 43.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.037 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.48 27.63 50.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.476 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.42 162.16 13.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.537 ' O ' HD13 ' A' ' 47' ' ' ILE . 2.7 m -94.42 143.27 26.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 60' ' ' ILE . 31.8 mm -131.87 103.6 7.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.019 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.688 ' C ' HD22 ' A' ' 49' ' ' LEU . 5.3 t -91.13 144.07 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.056 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.688 HD22 ' C ' ' A' ' 48' ' ' SER . 4.4 mm? -128.19 151.08 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.739 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -113.77 123.22 49.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.929 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.84 -178.5 4.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.04 -32.56 34.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -31.28 54.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -161.34 34.69 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.406 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -112.76 140.44 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -123.33 125.24 44.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.722 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG3' HG22 ' A' ' 46' ' ' THR . 2.7 tt0 -105.25 103.19 12.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.525 ' HB2' HD11 ' A' ' 78' ' ' ILE . 28.3 m-85 -90.8 -179.84 5.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.802 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m -147.89 129.01 14.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.558 HD11 HD11 ' A' ' 47' ' ' ILE . 25.9 mt -73.95 126.73 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.7 mt -104.95 -1.45 25.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.782 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' O ' HD13 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 179.5 167.14 1.11 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.891 0.377 . . . . 0.0 111.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' HB2' ' A' ' 1' ' ' MET . 30.0 mm -132.74 102.46 13.66 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.427 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 73.7 Cg_endo -74.69 -7.16 19.12 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.443 2.096 . . . . 0.0 112.644 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 64.68 36.27 8.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.64 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD11 HG22 ' A' ' 69' ' ' VAL . 2.4 pp -142.87 -178.52 5.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -110.33 -71.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.733 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -68.73 130.01 41.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 10' ' ' VAL . 16.7 t -122.81 139.02 30.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.83 156.2 12.7 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.482 2.121 . . . . 0.0 112.241 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.99 54.99 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.806 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -148.38 -57.23 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -104.86 30.65 5.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 5.0 t -84.37 0.6 48.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.576 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 26.76 9.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.701 0.286 . . . . 0.0 111.211 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.08 -34.12 5.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.427 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 91.0 m-85 -73.49 -16.8 61.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.284 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.525 HD11 ' HB2' ' A' ' 58' ' ' TYR . 18.0 tt -150.64 137.83 13.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -140.83 139.18 19.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 39.4 Cg_exo -60.22 121.52 9.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.483 2.122 . . . . 0.0 112.273 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -84.64 126.96 33.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.24 140.68 20.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.9 mmtm -144.14 76.04 1.49 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.878 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' HG22 ' A' ' 41' ' ' VAL . 1.3 tpt . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.76 160.38 28.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.914 HD11 HD23 ' A' ' 7' ' ' LEU . 1.2 tp -53.35 -23.96 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.6 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 2.0 p30 -74.82 -49.65 19.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.89 -4.58 56.45 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.822 ' O ' HG13 ' A' ' 10' ' ' VAL . 67.1 t80 -80.29 -70.74 0.5 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.914 HD23 HD11 ' A' ' 3' ' ' ILE . 3.9 pp -77.77 -9.35 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.482 ' HG2' HG21 ' A' ' 13' ' ' VAL . 61.1 mt-30 -90.34 -27.06 19.63 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.756 0.312 . . . . 0.0 111.171 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.3 m -93.18 -33.06 14.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.125 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.822 HG13 ' O ' ' A' ' 6' ' ' PHE . 24.1 m -54.49 -29.4 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.337 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 117.55 36.77 0.96 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.317 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.18 -41.44 4.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.518 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' HG2' ' A' ' 8' ' ' GLN . 24.9 t -102.3 66.77 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.97 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.4 pttm -67.73 103.44 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -151.88 158.49 43.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.82 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.53 37.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.39 166.36 28.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.19 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.709 ' N ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -124.89 29.98 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.32 159.02 15.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.681 HG21 ' HB1' ' A' ' 37' ' ' ALA . 67.1 p -110.86 98.58 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.74 -27.35 14.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.682 ' CG ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -52.85 -52.57 56.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.017 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.494 ' HA ' HG22 ' A' ' 28' ' ' VAL . 43.3 t -56.85 -23.17 42.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -87.44 -56.33 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.981 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.3 m -57.67 -25.64 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.294 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.83 56.29 1.43 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.682 ' HB3' ' CG ' ' A' ' 22' ' ' MET . . . -117.6 -38.11 3.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 111.23 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 22' ' ' MET . 30.2 m -61.99 114.28 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.41 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -142.89 108.56 5.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.691 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 9.8 tt -94.83 122.11 37.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.093 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.604 ' HB2' HD23 ' A' ' 30' ' ' LEU . 0.1 OUTLIER 54.6 46.54 24.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.027 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.76 26.67 70.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.4 t -134.72 142.5 46.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.802 0.334 . . . . 0.0 110.841 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -58.84 122.66 14.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.992 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -108.75 -170.66 1.7 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 -168.21 1.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -95.83 26.49 4.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.2 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.75 30.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -91.73 119.67 31.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -67.91 112.92 5.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 30' ' ' LEU . 28.1 m -84.06 -179.92 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -144.28 171.75 13.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.31 159.08 30.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.44 27.79 58.65 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -106.53 175.84 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.432 ' O ' HD13 ' A' ' 47' ' ' ILE . 87.7 m -106.05 147.87 28.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 60' ' ' ILE . 32.2 mm -133.53 100.02 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.08 154.87 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.976 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.55 HD11 HD22 ' A' ' 7' ' ' LEU . 1.2 mp -145.54 128.62 16.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.681 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -88.94 126.54 35.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.011 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -133.86 -174.85 3.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.785 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.493 HD23 ' N ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -97.32 -27.04 14.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.919 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.87 -26.73 23.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.829 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.11 151.93 6.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.449 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.7 mm -73.08 132.28 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.069 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -110.71 125.22 53.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.902 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -112.85 97.15 6.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' A' ' 80' ' ' PRO . 35.6 m-85 -82.88 -179.92 7.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.8 m -143.76 122.16 12.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.043 HD11 HD11 ' A' ' 47' ' ' ILE . 17.8 mt -75.67 125.58 35.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.932 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.0 mt -98.95 -17.21 18.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -178.32 154.64 0.84 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 60' ' ' ILE . 25.4 mm -116.14 89.54 25.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.432 ' HG3' ' CE2' ' A' ' 77' ' ' TYR . 48.2 Cg_endo -68.58 -11.3 31.55 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.21 55.96 2.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.898 0.38 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.642 HD12 ' CG2' ' A' ' 69' ' ' VAL . 15.5 mt -109.16 168.37 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -104.77 -28.79 10.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -151.01 113.59 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.642 ' CG2' HD12 ' A' ' 66' ' ' LEU . 22.6 t -119.65 136.34 24.68 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.043 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD2' HG13 ' A' ' 69' ' ' VAL . 36.6 Cg_endo -65.44 164.92 24.21 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.514 2.142 . . . . 0.0 112.377 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 ttt-85 -90.86 51.41 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -141.29 -47.07 0.39 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -93.45 -22.75 18.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.8 t -57.62 -21.19 37.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.257 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -56.15 -20.85 19.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.411 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.8 mt -90.24 -4.26 57.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.588 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.432 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 29.4 m-85 -109.6 -29.16 8.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.661 HD12 ' HE2' ' A' ' 6' ' ' PHE . 12.8 tt -155.13 137.37 6.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.88 145.15 20.25 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HG3' ' CE2' ' A' ' 58' ' ' TYR . 31.7 Cg_exo -58.38 120.79 8.9 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.562 2.174 . . . . 0.0 112.125 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.0 tttt -128.61 -179.46 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.07 135.26 19.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.44 40.07 3.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.955 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.786 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.822 0.344 . . . . 0.0 111.129 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.0 154.76 18.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.893 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.21 -25.16 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.347 179.723 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 17.8 t0 -65.14 -60.59 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.978 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.3 -4.46 57.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 112.058 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.734 ' O ' HG13 ' A' ' 10' ' ' VAL . 68.5 t80 -72.41 -64.63 0.91 Allowed 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -86.2 -13.09 47.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.717 ' HA ' HG22 ' A' ' 13' ' ' VAL . 30.5 mt-30 -90.24 -18.74 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.598 0.237 . . . . 0.0 111.437 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -102.9 -6.44 22.47 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.734 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -92.18 15.82 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.61 0.243 . . . . 0.0 111.555 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.52 19.2 78.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.632 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.85 -53.02 7.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 8' ' ' GLN . 33.3 m -91.38 153.04 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.084 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.0 154.21 32.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 63.06 142.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.0 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.3 mtp-105 59.35 76.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.991 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -115.2 115.74 50.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.13 75.05 1.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 63.0 -80.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.253 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.699 HG21 ' CB ' ' A' ' 37' ' ' ALA . 2.5 t -163.54 122.12 1.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.898 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.13 -29.44 7.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.782 ' HB3' HG13 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -55.16 -43.25 74.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.458 ' HA ' HG22 ' A' ' 28' ' ' VAL . 44.1 t -64.16 -21.17 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.99 -44.76 8.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.999 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.1 m -70.74 -31.33 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.177 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.06 51.95 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.385 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' HB3' ' HG2' ' A' ' 22' ' ' MET . . . -115.01 -36.94 4.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 0.0 111.197 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.893 HG12 HD12 ' A' ' 3' ' ' ILE . 33.3 m -61.44 115.82 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.449 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -143.58 109.28 5.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.608 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 41' ' ' VAL . 1.8 tt -94.44 125.61 39.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.082 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' N ' HD23 ' A' ' 30' ' ' LEU . 4.7 t30 55.74 45.21 24.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.29 69.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.397 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.7 153.27 48.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 0.0 110.803 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.7 p -58.6 141.48 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.6 -170.55 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -125.8 -165.95 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.699 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -96.79 26.16 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.306 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -163.94 31.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.7 111.48 23.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.63 136.16 56.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 1' ' ' MET . 18.8 m -100.85 178.23 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.54 171.29 13.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.38 151.84 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.032 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.53 28.15 62.03 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.44 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -102.14 170.15 8.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.471 ' O ' HD13 ' A' ' 47' ' ' ILE . 84.2 m -102.78 152.29 21.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 60' ' ' ILE . 40.5 mm -132.69 99.91 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.815 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.84 152.13 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.952 0.406 . . . . 0.0 111.058 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -150.01 121.02 7.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.774 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -93.52 117.02 29.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.49 173.99 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.872 HD12 ' N ' ' A' ' 53' ' ' LYS . 1.3 pp -71.56 -22.63 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.872 ' N ' HD12 ' A' ' 52' ' ' LEU . 3.7 ptmt -96.09 -24.91 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.067 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.8 -153.35 24.63 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.63 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.527 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.2 mp -119.03 144.21 27.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.9 -50.79 3.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 61.95 98.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.63 -179.77 4.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.782 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.2 m -138.65 129.38 26.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.774 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.077 HD11 HD11 ' A' ' 47' ' ' ILE . 30.8 mt -83.08 133.56 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.017 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -96.12 -24.25 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' O ' HD13 ' A' ' 63' ' ' ILE . 3.7 tt0 -173.83 170.39 3.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.653 HD12 HG23 ' A' ' 41' ' ' VAL . 33.2 mm -127.95 92.03 43.27 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.42 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 61.3 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.616 2.211 . . . . 0.0 112.611 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.41 52.71 3.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.903 0.382 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.65 -173.84 2.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -115.35 -43.3 3.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -143.74 129.25 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.975 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 74' ' ' THR . 8.3 t -130.4 90.78 40.24 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.032 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.12 179.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.616 2.211 . . . . 0.0 112.454 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -77.72 100.76 6.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -173.7 -60.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.59 28.04 5.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.562 ' HB ' HG12 ' A' ' 69' ' ' VAL . 15.3 t -98.37 -5.72 32.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.402 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -82.83 2.13 35.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt -104.63 11.29 34.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.639 0.257 . . . . 0.0 111.299 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.42 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 43.7 m-85 -118.89 -25.25 6.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.354 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.592 HD12 ' HE2' ' A' ' 6' ' ' PHE . 13.5 tt -153.98 144.3 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.382 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.93 145.87 41.31 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.93 108.92 2.7 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.539 2.159 . . . . 0.0 112.355 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.39 87.62 6.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.81 118.49 22.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 48.7 mmtt -153.49 146.13 24.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.848 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.716 0.293 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.88 153.11 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.987 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.857 HD11 HD21 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -48.85 -35.45 6.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.3 179.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -56.63 -52.09 66.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 179.671 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -90.9 -4.64 56.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.046 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.66 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 9.4 t80 -81.71 -69.57 0.6 Allowed 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.857 HD21 HD11 ' A' ' 3' ' ' ILE . 4.1 pp -74.74 -12.45 60.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.729 0.299 . . . . 0.0 111.711 -178.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.461 ' N ' HD12 ' A' ' 7' ' ' LEU . 69.2 mt-30 -90.22 -22.96 21.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 26.5 m -87.15 -42.5 12.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.168 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG11 HG21 ' A' ' 78' ' ' ILE . 1.9 m -46.26 -39.11 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.684 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 140.06 -18.4 2.93 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.975 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 mt -47.04 -70.02 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.79 0.328 . . . . 0.0 111.164 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 8' ' ' GLN . 4.2 m -118.99 72.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.08 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -97.17 88.29 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 8.1 ttt85 -132.55 154.54 49.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.38 66.41 2.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.5 p -93.25 150.75 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.996 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 18' ' ' LEU . 1.2 tm? -78.7 -65.4 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.83 149.22 32.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -81.28 114.23 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.64 -17.82 22.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.212 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.865 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 8.4 tpp -52.39 -29.9 26.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.794 0.331 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.7 p -78.83 -12.65 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.271 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -101.06 -44.24 5.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.447 HG22 ' HA ' ' A' ' 22' ' ' MET . 31.1 m -58.25 -35.49 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.179 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.88 25.99 4.6 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.865 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -95.83 -31.0 13.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 0.0 110.971 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.808 HG13 HD12 ' A' ' 3' ' ' ILE . 46.2 t -73.2 109.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -140.64 110.58 6.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.748 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 HG12 ' A' ' 41' ' ' VAL . 25.8 tp -99.42 117.16 33.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 60.19 41.0 17.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.45 47.02 82.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.428 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.3 m -156.79 134.34 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 11.4 p -59.74 117.12 4.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.813 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.78 140.93 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -67.23 -164.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.81 26.79 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.164 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -146.51 29.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.922 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.84 112.7 24.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -60.6 127.26 30.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.449 HG12 HD13 ' A' ' 30' ' ' LEU . 23.3 m -95.41 155.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -125.35 171.36 10.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.25 156.48 37.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.052 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.98 28.27 63.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.463 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 60' ' ' ILE . 0.7 OUTLIER -103.44 167.25 9.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.922 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.6 m -103.45 133.28 48.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 60' ' ' ILE . 38.9 mm -115.81 101.18 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.94 150.74 24.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 58' ' ' TYR . 9.1 mt -142.82 132.75 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.771 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -91.1 126.9 36.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.03 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -138.47 -177.04 4.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.4 mt -82.23 -46.46 13.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.795 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -27.47 67.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.26 -150.57 22.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 26.5 mm -113.69 133.34 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.757 0.313 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.653 ' O ' HG23 ' A' ' 82' ' ' THR . 1.1 mp0 -83.26 -51.63 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 60.96 88.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.501 ' CE1' HD12 ' A' ' 49' ' ' LEU . 20.7 m-85 -92.1 -179.89 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.7 m -143.21 123.2 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.072 HD11 HD11 ' A' ' 47' ' ' ILE . 5.0 mt -75.05 123.48 30.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.9 mt -88.79 -20.83 24.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.418 ' O ' HD13 ' A' ' 63' ' ' ILE . 2.6 tt0 -175.37 175.42 2.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 111.025 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD13 ' O ' ' A' ' 62' ' ' GLN . 28.5 mm -127.28 87.89 55.32 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.426 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 26.3 Cg_endo -62.17 -15.88 47.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.49 2.127 . . . . 0.0 112.505 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.66 41.2 15.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.212 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD21 HG22 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -101.72 167.7 9.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -36.18 27.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 1.7 m-20 -155.96 135.3 12.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.529 HG22 HD21 ' A' ' 66' ' ' LEU . 11.0 t -97.32 117.9 65.07 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.87 -167.29 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.405 2.07 . . . . 0.0 112.165 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -96.82 38.36 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.39 -46.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.97 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.99 26.2 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.404 ' HB ' HG12 ' A' ' 69' ' ' VAL . 11.8 t -101.94 28.91 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -133.39 10.35 4.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.275 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.2 mt -127.14 2.21 6.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.624 0.249 . . . . 0.0 111.386 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 32.9 m-85 -113.59 -21.69 10.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.679 0.276 . . . . 0.0 111.21 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.49 HG21 HG11 ' A' ' 10' ' ' VAL . 13.3 tt -154.98 137.18 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.874 0.368 . . . . 0.0 111.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -141.87 136.96 15.62 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 121.42 10.0 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.468 2.112 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -117.4 108.94 16.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.81 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.653 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -138.9 143.06 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.97 161.03 37.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.183 -0.913 . . . . 0.0 110.928 -179.969 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.843 0.354 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -144.15 158.93 43.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.721 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -49.59 -25.4 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 179.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 1.0 OUTLIER -70.78 -56.21 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.215 -179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.45 -4.47 56.97 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.654 ' O ' HG13 ' A' ' 10' ' ' VAL . 54.9 t80 -77.6 -63.97 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 49' ' ' LEU . 4.5 pp -83.52 -17.4 42.01 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 67.8 mt-30 -86.25 -23.85 26.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.635 0.255 . . . . 0.0 111.493 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.4 m -88.41 -32.16 18.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 6' ' ' PHE . 27.6 m -64.14 -29.81 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.79 43.41 0.81 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.4 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.34 -42.26 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG22 ' N ' ' A' ' 14' ' ' LYS . 14.9 p -63.42 159.12 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.299 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' N ' HG22 ' A' ' 13' ' ' VAL . 3.8 mmmt -113.16 148.54 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.58 98.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.048 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.51 127.79 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.943 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 18' ' ' LEU . 20.1 t 59.81 159.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 17' ' ' VAL . 3.8 pp -103.93 176.07 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.98 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' HB2' HD12 ' A' ' 18' ' ' LEU . . . 62.35 -81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.747 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.0 OUTLIER -163.87 -80.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.857 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.9 OUTLIER 78.93 -7.76 1.73 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.795 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.594 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -77.96 -29.98 50.11 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.801 0.334 . . . . 0.0 110.905 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 28.3 p -71.69 -17.77 62.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -96.87 -45.64 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.628 HG13 ' O ' ' A' ' 21' ' ' ASP . 32.7 m -58.47 -27.97 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 108.04 27.33 5.15 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.331 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.75 36.0 3.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.721 HG13 HD12 ' A' ' 3' ' ' ILE . 45.8 t -143.64 104.71 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 11.7 m95 -144.42 111.68 5.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.665 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -96.98 116.79 29.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.065 -179.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.487 ' N ' HD13 ' A' ' 30' ' ' LEU . 4.4 m-20 56.23 53.18 9.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.0 73.73 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -143.67 122.88 12.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.762 0.315 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.78 133.19 55.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.73 160.68 38.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -165.3 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.747 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -95.66 27.62 3.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.39 29.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.954 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.8 tptt -96.2 114.43 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -66.57 135.06 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.66 169.4 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.96 -179.95 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.74 155.92 29.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.05 28.93 69.67 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.476 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -109.23 161.63 15.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.71 ' O ' HD13 ' A' ' 47' ' ' ILE . 13.2 m -88.47 160.15 17.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.857 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 60' ' ' ILE . 35.9 mm -142.57 102.16 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.75 154.95 21.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.3 tp -148.65 125.56 11.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.738 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -90.92 137.34 32.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.009 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.483 ' HE1' HD23 ' A' ' 49' ' ' LEU . 19.0 m-85 -141.71 174.8 10.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.791 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER -75.71 -31.41 59.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.94 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -83.25 -29.23 28.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.28 -136.12 3.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.544 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.5 mp -142.44 140.52 28.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.9 0.381 . . . . 0.0 111.162 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -119.46 125.97 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.19 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.983 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -95.62 -179.87 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 81.6 m -139.2 126.44 21.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.05 HD11 HD11 ' A' ' 47' ' ' ILE . 29.0 mt -78.0 117.83 23.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.26 -19.41 33.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.167 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -176.03 170.2 2.75 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.677 HD11 HG21 ' A' ' 60' ' ' ILE . 29.8 mm -126.71 94.09 40.89 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.84 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.3 Cg_endo -69.58 -12.93 34.32 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.529 2.153 . . . . 0.0 112.639 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 59.61 31.33 20.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.84 HD13 ' HB2' ' A' ' 64' ' ' PRO . 4.4 mp -87.18 -176.31 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.84 -33.97 6.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -157.24 126.62 6.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.957 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -111.94 135.28 21.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.7 -166.76 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.464 2.11 . . . . 0.0 112.281 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.21 35.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.23 -45.17 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.786 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -104.07 28.82 6.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.5 t -102.4 28.06 6.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 13.2 3.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 44.0 mt -119.62 -7.35 10.11 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.369 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.422 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 33.8 m-85 -112.83 -23.18 10.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.601 0.239 . . . . 0.0 111.176 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.617 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.2 tt -152.62 141.31 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.75 23.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.18 106.5 2.06 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.283 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.59 103.23 2.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.04 140.65 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -140.33 32.33 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.913 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 6' ' ' PHE . 0.2 OUTLIER -132.62 154.72 49.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.805 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.83 HD12 HG12 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -51.31 -24.96 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.711 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 2.2 p-10 -72.39 -54.94 7.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.322 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -4.63 56.66 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.676 ' HZ ' HG23 ' A' ' 60' ' ' ILE . 64.2 t80 -77.72 -69.06 0.57 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -178.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -76.96 -13.5 59.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 -178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 20.2 mt-30 -90.09 -16.94 28.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.379 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.8 m -98.88 -43.23 6.82 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.751 0.31 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 11' ' ' GLY . 12.7 m -52.66 -47.74 49.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.503 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 134.83 59.03 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.574 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.59 -40.86 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.48 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.7 p -146.83 136.98 17.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.841 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -58.07 161.93 3.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.966 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -141.04 -174.02 3.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? 69.88 86.5 0.13 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.594 ' O ' HG22 ' A' ' 17' ' ' VAL . 13.5 p -166.52 44.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.83 99.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 61.32 163.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.79 HG21 ' HB1' ' A' ' 37' ' ' ALA . 73.4 p -74.08 177.02 6.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.09 -42.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.786 ' HB3' HG13 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -49.53 -48.18 48.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.224 -179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.3 t -61.25 -19.49 61.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -93.96 -49.1 5.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.842 0.353 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.568 HG22 ' HA ' ' A' ' 22' ' ' MET . 33.2 m -65.01 -29.01 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.251 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.52 53.8 1.2 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.384 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.57 ' HB3' ' HG3' ' A' ' 22' ' ' MET . . . -117.22 -36.43 3.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.83 HG12 HD12 ' A' ' 3' ' ' ILE . 29.3 m -58.83 108.74 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.289 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 15.1 m95 -141.4 104.56 4.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD21 HG12 ' A' ' 41' ' ' VAL . 3.0 tp -98.02 123.62 42.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.961 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 60.86 30.51 19.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.61 27.89 60.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.611 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.96 137.33 34.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.812 0.339 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -59.13 132.23 53.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -121.26 -170.83 2.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.061 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.84 -168.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG21 ' A' ' 20' ' ' THR . . . -96.14 25.42 4.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.35 26.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 110.07 21.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -58.05 136.8 57.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.037 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG12 HD21 ' A' ' 30' ' ' LEU . 29.0 m -106.54 -179.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.14 172.11 13.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -75.51 156.15 35.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.73 30.53 69.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -107.49 169.14 8.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.6 m -103.13 136.14 43.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 60' ' ' ILE . 42.0 mm -117.69 100.43 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.814 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 t -84.75 154.67 22.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.17 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD11 HD22 ' A' ' 7' ' ' LEU . 2.8 mt -150.28 110.47 4.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.545 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -83.64 117.96 23.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.029 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.507 ' HE1' HD22 ' A' ' 49' ' ' LEU . 7.8 m-85 -124.48 -176.81 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.1 mt -69.69 -53.24 19.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -28.01 69.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.07 -131.85 3.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 55' ' ' ILE . 3.4 mp -129.4 145.72 35.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.85 0.357 . . . . 0.0 111.175 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 32.5 mm-40 -94.63 -53.59 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.775 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.38 105.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.034 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HB3' ' A' ' 56' ' ' GLU . 94.8 m-85 -114.18 -179.71 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.648 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -144.89 120.06 10.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.986 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 47' ' ' ILE . 33.6 mt -71.12 122.28 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.042 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 51.1 mt -88.83 -19.08 26.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -176.51 156.97 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.846 0.355 . . . . 0.0 111.031 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.717 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.7 mm -116.19 87.14 18.74 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.8 -8.89 24.63 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.597 2.198 . . . . 0.0 112.583 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.03 32.55 15.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.857 0.36 . . . . 0.0 110.948 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.63 128.49 38.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.797 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.46 -23.02 61.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -156.02 111.91 3.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.67 132.95 22.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.059 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.22 -175.29 1.68 Allowed 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.443 2.095 . . . . 0.0 112.178 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 51.27 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.96 -62.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -105.83 27.7 8.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.003 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -90.58 -13.74 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.318 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.41 24.16 5.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.187 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mt -137.32 13.21 3.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.29 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -118.3 -20.6 8.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.282 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.6 tt -153.82 136.92 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -138.53 146.49 51.11 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -74.3 107.5 2.46 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.586 2.191 . . . . 0.0 112.403 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -95.62 153.75 17.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 t -155.83 158.3 37.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.945 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.9 mmtt -141.27 172.52 12.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.318 -0.849 . . . . 0.0 110.931 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.768 0.318 . . . . 0.0 111.236 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' PHE . 14.8 mtt180 -117.53 151.79 36.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.758 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.779 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -49.36 -27.0 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.558 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.421 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 1.4 p30 -69.2 -55.16 11.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.204 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -90.64 -4.48 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 10' ' ' VAL . 21.6 t80 -77.35 -68.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -178.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.694 HD22 HD11 ' A' ' 49' ' ' LEU . 4.5 pp -78.86 -12.96 60.05 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.421 ' CG ' ' O ' ' A' ' 4' ' ' ASP . 72.7 mt-30 -89.96 -20.11 23.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.709 0.29 . . . . 0.0 111.287 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.7 m -92.43 -38.38 12.02 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.801 0.334 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 6' ' ' PHE . 17.0 m -52.58 -28.59 12.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.396 -179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 113.93 43.13 0.81 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.64 -44.02 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.032 0.444 . . . . 0.0 110.548 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 22.1 t -114.83 83.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.53 34.99 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.45 117.13 28.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 1.4 mtp-105 62.8 123.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -103.71 -30.65 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.1 tt -77.81 129.49 35.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.955 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.0 158.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.1 m -129.84 106.73 8.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.512 ' O ' HG22 ' A' ' 25' ' ' VAL . 11.0 m-20 -76.72 -19.17 57.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.226 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HA ' HG22 ' A' ' 25' ' ' VAL . 10.2 mtt -57.46 -47.81 80.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.792 0.33 . . . . 0.0 111.233 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 29.2 p -62.17 -26.34 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.156 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -88.05 -53.9 4.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.058 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' ASP . 34.1 m -56.44 -32.83 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.308 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.95 22.92 4.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.616 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 29.69 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.372 . . . . 0.0 111.028 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.585 HG13 HG21 ' A' ' 3' ' ' ILE . 61.8 t -137.61 107.9 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -139.92 110.3 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.652 HD11 HG12 ' A' ' 41' ' ' VAL . 2.0 tt -97.72 122.21 40.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 58.09 35.92 25.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.051 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.68 41.92 55.63 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.94 139.68 15.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -54.14 132.25 42.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.427 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -135.9 148.19 48.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.106 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.61 -168.11 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.59 27.97 4.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.157 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.8 m -148.23 28.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -103.54 117.54 34.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.7 140.64 56.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.743 HG23 HD12 ' A' ' 63' ' ' ILE . 12.9 m -98.27 175.68 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.187 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -134.24 161.95 33.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 62' ' ' GLN . . . -67.66 151.89 46.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.2 39.43 92.37 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.422 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HB3' HD12 ' A' ' 60' ' ' ILE . 1.3 t70 -116.62 173.24 6.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.012 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.2 m -104.6 145.68 29.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 60' ' ' ILE . 40.9 mm -130.72 99.93 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.975 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.612 ' O ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -84.2 153.43 23.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD11 HD22 ' A' ' 7' ' ' LEU . 3.2 mp -144.89 138.0 26.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -94.43 126.22 39.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.951 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.493 ' HE1' HD23 ' A' ' 49' ' ' LEU . 12.4 m-85 -136.21 179.26 6.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 53' ' ' LYS . 3.7 pp -75.27 -37.63 60.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' N ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -77.61 -30.13 52.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.931 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 155.95 -135.72 4.69 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 49' ' ' LEU . 33.8 mm -123.04 137.11 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.804 0.335 . . . . 0.0 111.058 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.738 ' O ' HG23 ' A' ' 82' ' ' THR . 10.4 mm-40 -87.68 -50.07 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 61.86 98.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.986 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -99.83 -179.78 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.812 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.9 m -137.12 128.71 28.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.829 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.964 HD11 HD11 ' A' ' 47' ' ' ILE . 10.4 mt -83.71 133.11 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 90.4 mt -101.35 -21.41 14.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.254 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 43' ' ' ALA . 42.3 tt0 -176.4 162.94 2.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.872 0.367 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.743 HD12 HG23 ' A' ' 41' ' ' VAL . 31.8 mm -127.93 97.22 30.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.049 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' CD1' ' A' ' 77' ' ' TYR . 74.1 Cg_endo -74.48 -11.92 22.59 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.537 2.158 . . . . 0.0 112.667 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 65.08 52.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.902 0.382 . . . . 0.0 111.095 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.3 mt -113.28 -168.3 1.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -118.44 -63.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -116.95 107.17 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 HG13 ' HD2' ' A' ' 70' ' ' PRO . 28.7 t -78.69 136.0 59.54 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.002 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.414 ' HD2' HG13 ' A' ' 69' ' ' VAL . 55.6 Cg_endo -70.24 -168.94 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.418 2.078 . . . . 0.0 112.191 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.8 29.04 3.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 21.9 tttm -126.57 -42.45 1.8 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.008 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.409 ' O ' ' CE2' ' A' ' 77' ' ' TYR . 2.8 m-20 -107.84 27.03 9.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.227 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 t -99.8 26.89 5.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' CE1' ' O ' ' A' ' 72' ' ' LYS . 7.6 p-80 -141.95 19.26 2.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.073 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.95 4.73 5.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.277 179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.433 ' CD1' ' HD3' ' A' ' 64' ' ' PRO . 34.0 m-85 -114.22 -28.79 7.16 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.697 0.284 . . . . 0.0 111.044 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.415 ' HB ' ' CZ ' ' A' ' 6' ' ' PHE . 16.6 tt -152.23 137.1 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.994 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.73 138.11 14.18 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.033 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.47 124.52 16.3 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.438 2.092 . . . . 0.0 112.254 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.96 52.35 0.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.738 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.6 OUTLIER -103.66 -178.17 3.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.858 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 pttt 46.41 -169.98 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.373 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.827 0.346 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 41' ' ' VAL . 1.4 mtp180 -147.29 162.12 39.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.746 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -56.24 -24.9 19.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.279 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 3.0 p30 -77.32 -46.67 22.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttmm -90.87 -4.62 56.42 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.564 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 71.0 t80 -84.01 -70.16 0.59 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.509 HD21 HD11 ' A' ' 3' ' ' ILE . 4.5 pp -75.58 -12.43 60.22 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 65.5 mt-30 -90.22 -30.6 17.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -33.13 47.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.032 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' PHE . 18.5 m -58.76 -32.77 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.232 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 115.82 29.72 2.35 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.58 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.31 -44.74 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.764 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 15' ' ' ARG . 12.9 p -57.69 143.05 12.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.199 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -55.93 -24.27 36.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.594 ' H ' HG22 ' A' ' 13' ' ' VAL . 0.1 OUTLIER 66.19 45.75 2.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.941 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.54 170.3 1.66 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.9 t 66.0 94.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.194 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 179.75 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.957 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.85 99.73 9.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 53.5 m 60.15 80.42 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.21 -19.34 54.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.583 ' CE ' HG23 ' A' ' 13' ' ' VAL . 0.8 OUTLIER -51.59 -37.27 49.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.263 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.1 p -68.9 -29.68 68.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.8 -45.55 16.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.4 m -66.57 -39.1 83.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 117.32 35.88 1.06 Allowed Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' MET . . . -97.38 -45.29 6.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.113 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HB3' ' A' ' 35' ' ' ALA . 36.8 t -57.29 112.07 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.406 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 9.8 m95 -145.16 113.24 6.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.83 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.7 tp -110.57 133.14 53.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.84 33.07 21.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.963 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.44 27.56 72.49 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.595 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -137.59 142.01 41.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.307 . . . . 0.0 110.959 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.401 ' HB2' ' CZ2' ' A' ' 29' ' ' TRP . 45.0 t -60.01 123.32 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.838 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -117.45 167.95 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.741 ' O ' HG11 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -95.46 -164.13 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -95.65 27.32 3.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.03 27.61 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -86.77 117.63 25.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.25 139.83 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 2' ' ' ARG . 27.6 m -115.53 154.99 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.33 159.1 34.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.32 150.19 35.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.042 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.4 29.19 73.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.401 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.64 168.63 8.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.649 ' O ' HD13 ' A' ' 47' ' ' ILE . 12.8 m -97.51 151.15 20.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 60' ' ' ILE . 28.2 mm -137.77 101.47 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.561 ' O ' HD12 ' A' ' 49' ' ' LEU . 10.0 t -90.66 153.86 19.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 48' ' ' SER . 1.2 mp -140.25 137.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -100.63 136.87 39.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.504 ' HE2' HD23 ' A' ' 49' ' ' LEU . 37.3 m-85 -150.9 -177.66 6.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.51 -33.02 15.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -32.85 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.973 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.2 172.51 33.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 49' ' ' LEU . 21.2 mm -95.82 149.61 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 111.082 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -133.88 125.92 29.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -112.55 102.71 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' HB2' HD11 ' A' ' 78' ' ' ILE . 32.5 m-85 -92.54 -179.98 5.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.7 m -144.24 127.22 16.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.839 HD11 HD11 ' A' ' 47' ' ' ILE . 30.9 mt -75.75 121.46 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.018 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.9 mt -82.92 -20.58 35.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.172 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -177.26 168.09 2.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.818 0.342 . . . . 0.0 111.075 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.71 HD11 HG21 ' A' ' 60' ' ' ILE . 29.1 mm -127.46 91.19 46.59 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.409 ' HG3' ' CZ ' ' A' ' 77' ' ' TYR . 63.5 Cg_endo -72.73 -11.78 26.16 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.54 2.16 . . . . 0.0 112.602 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.54 54.15 3.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.97 0.414 . . . . 0.0 111.128 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -110.16 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.939 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.61 6.51 16.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.335 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -176.61 111.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.772 0.32 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.12 121.39 47.81 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.26 167.6 0.76 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.375 2.05 . . . . 0.0 112.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -74.06 -15.52 61.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 mtmt -90.11 -29.21 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.946 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -94.18 -22.63 18.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.3 t -57.98 -20.71 40.2 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.309 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -89.91 14.91 10.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.46 1.98 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.501 0.191 . . . . 0.0 111.417 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' ' HG3' ' A' ' 64' ' ' PRO . 62.2 m-85 -117.28 -21.9 8.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.681 0.276 . . . . 0.0 111.395 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.545 HD12 ' HE2' ' A' ' 6' ' ' PHE . 14.5 tt -150.84 137.86 13.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.823 0.344 . . . . 0.0 111.024 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' ' 80' ' ' PRO . . . -144.38 138.91 15.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.121 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 79' ' ' ALA . 37.4 Cg_exo -57.15 110.02 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.423 2.082 . . . . 0.0 112.251 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -102.3 145.34 29.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.32 154.57 35.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -145.48 31.63 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 ttm . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.847 0.356 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -139.01 147.6 42.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.798 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -46.18 -28.33 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.617 179.785 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.438 ' O ' ' CG ' ' A' ' 8' ' ' GLN . 0.2 OUTLIER -66.23 -55.52 15.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.027 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 -4.74 56.53 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 8.0 t80 -77.32 -65.78 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.677 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -81.42 -13.89 57.75 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.616 ' HA ' HG22 ' A' ' 13' ' ' VAL . 29.1 mt-30 -89.98 -15.25 32.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.736 0.303 . . . . 0.0 111.188 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.6 t -94.82 -43.56 8.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.727 HG12 HG21 ' A' ' 69' ' ' VAL . 31.4 m -56.23 -23.85 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.66 26.82 6.64 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.419 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.4 OUTLIER -80.14 -46.41 16.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.798 0.333 . . . . 0.0 110.874 -179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 8' ' ' GLN . 27.5 m -103.5 157.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 pttm -133.94 35.91 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.03 92.37 3.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.68 109.64 10.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.13 -67.16 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.56 -68.85 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -109.42 -78.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.329 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.562 HG21 ' CB ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER -148.12 172.71 13.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.971 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -151.63 -43.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.986 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.58 ' HA ' HG22 ' A' ' 25' ' ' VAL . 9.1 mtt -47.41 -38.67 13.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.333 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 32.0 p -63.72 -26.27 68.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.068 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.14 -53.86 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.083 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 22' ' ' MET . 34.4 m -57.43 -30.64 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.239 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 110.32 27.08 4.61 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.536 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.07 29.88 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.616 HG13 HG21 ' A' ' 3' ' ' ILE . 33.0 t -133.73 107.77 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 14.1 m95 -144.99 99.89 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.55 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD12 HG12 ' A' ' 41' ' ' VAL . 9.4 tt -85.43 112.75 21.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.997 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.437 ' HB2' HD23 ' A' ' 30' ' ' LEU . 69.9 m-20 56.72 35.45 26.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.19 56.91 3.83 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.24 116.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -55.0 109.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.726 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -112.17 141.92 45.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -162.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.731 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.562 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.43 28.56 2.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 0.0 111.246 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.7 m -141.18 25.1 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.737 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.726 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 0.0 OUTLIER -95.74 136.61 35.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.806 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -86.48 143.92 27.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.967 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.864 HG12 HD12 ' A' ' 30' ' ' LEU . 20.2 m -118.12 151.14 20.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.88 178.26 4.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.56 160.02 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.198 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.67 26.62 60.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.506 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -105.47 175.3 5.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.742 0.306 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.0 m -110.25 138.06 47.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.027 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 60' ' ' ILE . 42.9 mm -115.48 101.86 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.752 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' C ' HD12 ' A' ' 49' ' ' LEU . 4.6 t -81.3 158.07 24.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 55' ' ' ILE . 3.0 mp -149.96 109.98 4.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.794 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -83.11 117.52 22.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.046 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.81 161.81 25.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.55 -31.02 70.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -29.21 28.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.06 -142.84 8.09 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.9 mp -138.35 147.33 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -103.26 -53.63 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.764 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 63.5 95.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.082 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.454 ' CE2' HD11 ' A' ' 12' ' ' LEU . 5.9 m-85 -94.92 -179.75 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.631 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 86.0 m -140.11 126.63 20.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.082 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.082 HD11 HD11 ' A' ' 47' ' ' ILE . 24.3 mt -81.15 128.28 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.029 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.71 -22.64 16.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -176.43 168.14 2.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 60' ' ' ILE . 25.6 mm -124.45 90.14 51.23 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.189 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' HG2' HD22 ' A' ' 66' ' ' LEU . 39.1 Cg_endo -66.6 -14.12 42.66 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.507 2.138 . . . . 0.0 112.446 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.06 36.62 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.977 HD11 HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -92.45 -179.49 5.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.866 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -111.01 -26.98 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -152.16 131.0 12.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 66' ' ' LEU . 13.0 t -99.6 96.67 4.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.122 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 -173.82 0.4 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.399 2.066 . . . . 0.0 112.219 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -77.97 62.1 2.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.774 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -124.84 -45.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.7 -83.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.006 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.421 ' HB ' ' CG1' ' A' ' 69' ' ' VAL . 9.5 t 43.52 30.16 0.32 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.78 0.324 . . . . 0.0 111.4 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.85 -30.36 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.587 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.57 19.44 15.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.155 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -118.88 -30.75 4.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.892 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -165.96 136.87 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.971 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -144.96 149.75 43.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.198 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 59.8 Cg_endo -72.5 122.49 8.33 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.592 2.195 . . . . 0.0 112.376 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -92.07 123.91 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -134.39 113.91 12.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -152.77 127.89 9.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 6' ' ' PHE . 6.2 mtt180 -136.52 149.71 48.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.697 HD12 HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.69 -25.93 3.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.498 179.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 23.6 t0 -71.23 -56.14 6.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.2 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -90.36 -4.55 57.0 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 60' ' ' ILE . 24.8 t80 -78.18 -66.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 pp -79.22 -14.68 58.91 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.579 ' HG2' HG23 ' A' ' 13' ' ' VAL . 68.3 mt-30 -90.12 -20.76 22.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.634 0.254 . . . . 0.0 111.592 -179.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -91.43 -33.86 15.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.719 0.295 . . . . 0.0 111.046 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.0 m -54.52 -25.79 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.249 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.11 25.47 5.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.532 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.94 -59.39 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG23 ' HG2' ' A' ' 8' ' ' GLN . 3.3 m -121.73 119.68 59.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.17 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -121.0 52.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -142.26 168.35 19.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.81 85.73 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.578 ' O ' HG12 ' A' ' 17' ' ' VAL . 15.5 t -106.51 29.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.2 tp -110.78 75.05 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 62.11 18.61 10.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.366 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.8 m 52.71 98.96 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -74.29 -16.47 60.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.25 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.496 ' HA ' HG22 ' A' ' 25' ' ' VAL . 1.4 mtt -52.78 -32.38 43.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 30.0 p -76.06 -24.83 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.993 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.53 -41.26 13.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.064 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 22' ' ' MET . 28.6 m -64.78 -34.93 73.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.287 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.65 28.39 2.75 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.598 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.19 -11.25 22.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 0.0 111.413 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.697 HG22 HD12 ' A' ' 3' ' ' ILE . 98.7 t -99.72 107.67 21.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.804 0.335 . . . . 0.0 111.197 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.0 m95 -143.56 99.94 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.55 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.572 HD12 HG12 ' A' ' 41' ' ' VAL . 7.0 tt -76.22 112.79 13.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.159 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 52.61 45.46 28.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.43 43.11 62.91 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.492 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.7 p -151.07 119.48 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.786 0.327 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -54.77 130.45 40.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.736 ' HB1' ' HD2' ' A' ' 39' ' ' LYS . . . -141.56 147.37 37.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.775 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.67 26.89 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.266 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.86 28.97 0.83 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.736 ' HD2' ' HB1' ' A' ' 35' ' ' ALA . 0.1 OUTLIER -91.51 120.13 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.943 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.53 146.62 53.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.572 HG12 HD12 ' A' ' 30' ' ' LEU . 22.2 m -116.67 167.33 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.8 163.58 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' HG12 ' A' ' 63' ' ' ILE . . . -70.35 142.55 52.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.046 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.55 28.66 59.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.49 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.74 166.39 10.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.771 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -106.49 106.27 16.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 78' ' ' ILE . 43.9 mt -81.91 102.28 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.809 179.698 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 57' ' ' GLU . 46.1 t -82.9 149.74 26.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.197 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.831 ' O ' HG23 ' A' ' 55' ' ' ILE . 1.7 mp -149.71 140.02 22.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.723 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -112.89 129.15 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -123.89 -175.43 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.639 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 pp -83.98 -23.46 31.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.05 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -94.34 -25.43 16.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.93 -175.73 36.72 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.663 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.831 HG23 ' O ' ' A' ' 49' ' ' LEU . 3.7 mp -98.63 138.47 23.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 111.303 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 3.9 mm-40 -92.6 -55.91 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 48' ' ' SER . 14.2 mt-10 63.49 94.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.216 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 78' ' ' ILE . 14.5 m-85 -98.7 -179.93 4.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.684 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 52.6 m -144.52 128.7 17.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.778 HG21 HD11 ' A' ' 63' ' ' ILE . 3.5 mt -77.81 126.11 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.025 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.5 mt -90.36 -16.55 28.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.292 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.77 163.49 1.44 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.796 0.331 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.778 HD11 HG21 ' A' ' 60' ' ' ILE . 32.1 mm -126.05 88.73 53.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.412 ' HG3' ' CE1' ' A' ' 77' ' ' TYR . 56.3 Cg_endo -70.02 -10.74 29.06 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.51 2.14 . . . . 0.0 112.558 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 62.47 51.15 3.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mt -100.47 -177.72 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -109.72 -31.63 7.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -160.32 130.25 5.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.5 t -107.74 104.15 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.071 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.62 175.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.517 2.144 . . . . 0.0 112.468 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 ptt-85 -81.43 78.2 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -166.23 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -103.06 30.86 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.3 t -98.09 27.97 4.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.24 14.99 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.299 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 mt -124.37 1.12 8.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.419 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.412 ' CE1' ' HG3' ' A' ' 64' ' ' PRO . 50.4 m-85 -110.06 -26.45 9.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.786 0.327 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.91 HD12 HD12 ' A' ' 47' ' ' ILE . 18.2 tt -148.99 143.51 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -147.68 135.61 10.83 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.48 124.33 15.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.4 2.067 . . . . 0.0 112.244 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -175.71 2.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 40.2 m 62.07 155.94 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.78 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -145.36 89.31 1.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.978 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.945 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HE3' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.764 0.316 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -127.9 -155.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.721 -179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -114.12 -25.73 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.178 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 17.0 t70 -76.52 -49.0 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.377 -179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -90.67 -4.77 56.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.819 ' O ' HG13 ' A' ' 10' ' ' VAL . 75.7 t80 -84.03 -69.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -178.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 HD21 HD11 ' A' ' 3' ' ' ILE . 4.6 pp -73.08 -14.23 61.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 111.619 -178.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 60.5 mt-30 -90.22 -23.96 21.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.291 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HB3' ' HA ' ' A' ' 68' ' ' ASN . 15.5 m -99.77 -31.69 11.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.325 -179.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.819 HG13 ' O ' ' A' ' 6' ' ' PHE . 11.5 m -49.4 -48.04 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 111.408 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' N ' HG23 ' A' ' 10' ' ' VAL . . . 147.25 42.07 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.266 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' LEU . 4.0 mt -123.06 -52.46 1.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.93 0.395 . . . . 0.0 110.429 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG12 ' H ' ' A' ' 15' ' ' ARG . 24.4 t -104.65 130.83 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.954 179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.32 33.52 1.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.084 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.498 ' H ' HG12 ' A' ' 13' ' ' VAL . 10.3 ttt180 60.03 111.18 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -51.93 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.87 177.66 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -88.54 -31.06 18.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.85 150.73 19.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.651 HG21 ' CB ' ' A' ' 37' ' ' ALA . 1.9 t -84.71 115.61 22.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -108.11 -26.74 10.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.514 ' HA ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -56.58 -35.92 68.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 31.2 p -70.73 -27.5 64.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -86.05 -48.58 8.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.984 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.514 HG22 ' HA ' ' A' ' 22' ' ' MET . 35.2 m -58.7 -36.5 60.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.241 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.86 27.9 2.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -30.32 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 111.048 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.803 HG12 ' HB3' ' A' ' 35' ' ' ALA . 28.6 t -77.36 119.6 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' CD1' ' O ' ' A' ' 28' ' ' VAL . 11.5 m95 -145.88 111.42 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.804 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.821 HD21 HG12 ' A' ' 41' ' ' VAL . 0.7 OUTLIER -104.44 127.73 52.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.016 -179.823 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.41 36.74 27.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.99 30.29 72.25 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.418 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.17 143.97 36.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.811 0.338 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 26.2 p -58.13 122.16 12.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.803 ' HB3' HG12 ' A' ' 28' ' ' VAL . . . -119.25 157.69 27.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -163.65 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.651 ' CB ' HG21 ' A' ' 20' ' ' THR . . . -94.74 27.23 3.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.266 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.11 28.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.579 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 4.6 mmtt -94.79 103.29 15.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -59.12 134.02 56.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.821 HG12 HD21 ' A' ' 30' ' ' LEU . 30.1 m -102.67 170.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.047 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.73 168.91 18.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.793 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.02 147.51 52.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 66.59 31.56 78.97 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.386 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -109.03 168.28 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.836 0.35 . . . . 0.0 110.804 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 84.6 m -101.36 135.51 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 60' ' ' ILE . 33.5 mm -122.56 100.66 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.519 ' C ' HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -87.71 157.7 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.842 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.656 ' O ' HG23 ' A' ' 55' ' ' ILE . 5.0 mp -144.52 146.49 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.945 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -98.12 121.81 40.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -130.63 178.92 6.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.853 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 mt -83.7 -40.91 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.745 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.3 ptmt -77.47 -28.09 52.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.19 9.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.592 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.656 HG23 ' O ' ' A' ' 49' ' ' LEU . 4.3 mp -64.54 144.44 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 111.101 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 58' ' ' TYR . 33.8 mm-40 -91.6 -44.51 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 51.4 tt0 61.17 97.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.576 ' CE1' HD13 ' A' ' 49' ' ' LEU . 62.2 m-85 -107.19 -179.81 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.029 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -145.2 125.07 13.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.939 HD11 HD11 ' A' ' 47' ' ' ILE . 32.7 mt -74.18 122.98 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.01 -23.24 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.19 173.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.987 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' CD1' HG21 ' A' ' 60' ' ' ILE . 29.0 mm -125.63 98.17 34.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 36.5 Cg_endo -65.55 -13.52 40.2 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.368 2.046 . . . . 0.0 112.495 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 63.95 45.86 4.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.34 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.483 ' CD1' HG22 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -124.11 -179.24 4.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.824 179.726 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -108.32 -23.07 12.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.186 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 38.8 t30 -144.31 147.18 33.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 66' ' ' LEU . 17.4 t -128.49 111.85 19.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -51.68 164.78 0.87 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.469 2.113 . . . . 0.0 112.285 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.88 78.94 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.76 -55.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -104.98 28.96 6.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.0 t -88.99 -14.0 37.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.347 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -94.11 20.27 8.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.244 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 18.5 mt -122.22 -0.87 9.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.329 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -107.55 -27.48 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.737 0.303 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.555 HD11 ' HB2' ' A' ' 58' ' ' TYR . 15.1 tt -148.44 137.63 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.005 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -145.45 140.25 15.72 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.218 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -56.61 114.16 1.79 Allowed 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.441 2.094 . . . . 0.0 112.115 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.31 121.04 43.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -158.24 139.05 12.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.11 155.92 48.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.149 -0.929 . . . . 0.0 110.792 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.3 154.83 35.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.047 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.631 HD12 HG13 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -50.36 -25.6 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.54 179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 8' ' ' GLN . 7.7 m-20 -73.37 -54.01 9.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.287 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.45 -4.71 56.8 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.632 ' CZ ' HG23 ' A' ' 60' ' ' ILE . 43.5 t80 -81.03 -66.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -76.75 -15.36 59.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -178.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.725 ' HA ' HG12 ' A' ' 13' ' ' VAL . 36.9 mt-30 -90.0 -20.16 23.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.403 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.5 p -88.45 -46.75 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.938 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.3 m -56.08 -28.66 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 110.1 45.05 0.97 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.402 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.34 -32.23 9.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.801 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 8' ' ' GLN . 14.2 p -92.82 152.8 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.24 149.18 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 59.19 22.52 10.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.8 mtt180 -157.38 71.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.674 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 18' ' ' LEU . 1.5 t -108.79 171.28 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.076 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 ' H ' HG12 ' A' ' 17' ' ' VAL . 7.0 mp 63.77 -78.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.168 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 135.18 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.338 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 p -94.79 108.25 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.724 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 25' ' ' VAL . 8.0 m-20 -99.76 -29.29 12.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.443 ' HA ' HG22 ' A' ' 25' ' ' VAL . 3.6 mpp? -56.53 -46.3 80.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 27.3 p -64.05 -27.48 69.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.53 -52.05 6.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.046 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 21' ' ' ASP . 29.5 m -57.99 -29.94 37.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.271 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 103.97 35.52 3.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.36 -32.88 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.631 HG13 HD12 ' A' ' 3' ' ' ILE . 54.8 t -64.61 112.78 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 48' ' ' SER . 18.1 m95 -141.61 106.13 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.66 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.751 HD11 HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -85.98 124.41 32.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.206 -179.669 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 52.71 37.53 23.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.67 29.2 65.9 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.446 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -140.5 145.47 36.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -55.0 140.21 38.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.999 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.552 ' HB1' ' HG3' ' A' ' 39' ' ' LYS . . . -150.54 128.66 11.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -166.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.822 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.53 ' HB2' ' SG ' ' A' ' 23' ' ' CYS . . . -96.22 28.93 3.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.207 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.31 27.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HG3' ' HB1' ' A' ' 35' ' ' ALA . 18.1 mmtp -100.31 119.84 39.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.12 158.72 19.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.751 HG12 HD11 ' A' ' 30' ' ' LEU . 28.8 m -127.56 170.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -134.96 177.84 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.61 154.6 27.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.07 33.55 75.04 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.447 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.495 ' CB ' HD12 ' A' ' 60' ' ' ILE . 9.8 m-20 -108.89 162.58 14.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.754 0.311 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -97.14 141.11 30.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.071 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 60' ' ' ILE . 35.4 mm -123.27 100.77 8.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.806 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 0.4 OUTLIER -81.81 153.36 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.1 -179.826 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' HE1' ' A' ' 51' ' ' TYR . 1.7 mp -150.0 124.05 9.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.793 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -93.51 122.62 36.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.466 ' HE1' HD23 ' A' ' 49' ' ' LEU . 14.4 m-85 -134.36 163.71 29.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.11 -34.68 76.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.1 -31.03 49.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.57 -179.5 25.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.569 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 55' ' ' ILE . 4.0 mp -89.53 144.06 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.769 0.318 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -102.07 -47.91 4.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 61.28 91.31 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 49' ' ' LEU . 21.7 m-85 -94.62 -179.85 5.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 63.4 m -143.21 125.79 15.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.825 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 1.048 HD11 HD11 ' A' ' 47' ' ' ILE . 3.6 mt -74.81 118.64 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.4 mt -79.0 -23.94 44.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 179.73 169.74 1.14 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.737 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.58 ' CD1' HG21 ' A' ' 60' ' ' ILE . 31.2 mm -120.23 91.96 46.69 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.688 ' HB2' HD13 ' A' ' 66' ' ' LEU . 55.7 Cg_endo -70.14 -12.14 31.64 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.503 2.135 . . . . 0.0 112.586 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.88 36.77 18.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.004 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.688 HD13 ' HB2' ' A' ' 64' ' ' PRO . 1.3 mp -90.51 173.97 7.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.9 mtmm -108.97 -28.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -164.45 97.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG22 HD22 ' A' ' 66' ' ' LEU . 21.6 t -80.6 133.65 55.56 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.49 -167.89 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.484 2.122 . . . . 0.0 112.298 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -85.01 82.52 8.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 -42.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -110.48 -16.47 13.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.218 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 3.0 t -53.38 -29.58 35.29 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.776 0.322 . . . . 0.0 111.19 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -98.09 27.75 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.031 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.08 6.69 4.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.443 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE2' ' HG3' ' A' ' 64' ' ' PRO . 53.2 m-85 -121.09 -16.61 7.97 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.47 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.33 137.92 9.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.849 0.357 . . . . 0.0 111.019 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.43 148.09 52.22 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.042 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.34 109.46 2.74 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.584 2.189 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -76.23 159.79 30.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.52 151.51 37.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -147.23 146.99 29.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 stop_ save_