data_2k6i_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 2k6i _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 ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.348 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.8 -140.6 4.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.3 149.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -91.9 84.04 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.9 m -121.83 27.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mtm -56.8 -28.23 61.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.16 -32.94 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.54 -50.28 70.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.46 -32.67 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.87 132.5 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -96.32 30.05 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.45 -24.29 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp 58.64 31.52 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 mt -51.76 -31.21 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -37.72 62.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.97 -33.18 68.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -58.2 -25.88 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -77.77 -29.21 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.5 -29.52 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.98 -20.59 39.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -76.36 -40.75 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.68 -26.43 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -60.12 -46.28 90.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -55.37 -41.36 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.07 98.36 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.9 tp -116.57 138.84 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.81 97.57 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.97 -102.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t 65.14 53.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t 54.41 69.74 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.24 24.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -85.5 -22.57 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -109.27 -25.71 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.19 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mm -76.3 -49.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -78.41 76.09 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -83.1 -31.73 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.07 151.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -98.19 31.01 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.02 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 55.9 25.69 8.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.63 -27.9 45.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.35 -33.18 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.83 -30.77 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.67 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.12 -29.19 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -76.48 -37.5 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.31 -21.2 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -51.44 -51.27 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -25.39 68.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.91 -24.66 48.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.67 -49.64 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.59 159.44 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.16 161.04 9.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.8 p -172.99 139.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -66.05 91.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 m -103.67 33.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -26.13 64.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.53 -27.27 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.42 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mm -57.02 -29.28 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -118.62 37.37 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -89.08 67.6 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.17 153.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -115.78 26.6 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.1 -38.65 11.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.46 69.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.71 -37.89 80.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.47 -26.45 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.28 -30.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.78 -53.41 7.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.91 -20.67 38.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -76.34 -40.42 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.19 -32.46 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -73.43 -38.86 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -53.84 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 tt -166.09 137.1 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.6 mm -87.45 100.63 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.36 162.75 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.28 159.79 26.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.1 t -103.38 -72.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -133.02 93.96 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 m -114.53 44.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -54.25 -27.72 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -50.18 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.09 -29.33 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 70.0 mt -85.32 -30.1 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -173.71 138.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -131.06 128.97 41.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.46 175.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -94.48 -16.65 23.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.92 -73.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.39 29.23 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.15 -31.15 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -63.05 -26.36 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.64 -29.81 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.84 -53.42 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -20.76 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.34 -40.66 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.34 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -62.01 -32.57 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -70.56 -31.48 68.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.66 87.1 2.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -127.99 -49.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 128.65 43.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.32 140.89 12.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.65 -41.11 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 71.9 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 m -118.26 28.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ttp -58.79 -29.8 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -91.11 -28.18 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.06 -45.67 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -81.31 -35.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -118.68 108.58 15.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -71.34 94.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.52 172.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -118.95 28.64 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.66 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.95 25.33 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.85 -28.12 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.39 -42.32 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -63.11 -29.13 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.99 -26.5 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -20.66 38.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -40.63 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.95 -25.3 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.76 92.78 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.0 mm -126.23 -48.43 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.84 122.47 45.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.47 150.27 22.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.66 69.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t 55.42 52.51 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -107.4 25.39 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.9 mmt -80.89 -26.05 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.58 -28.44 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.62 -49.8 36.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.67 -66.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.4 ttpt -85.38 95.37 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.97 102.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.83 138.73 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -107.88 -16.53 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.69 -55.26 28.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.95 28.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.12 -28.88 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 pm0 -55.58 -26.07 41.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -89.25 -22.15 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.64 -24.16 45.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.33 -28.51 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -77.05 -37.59 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.5 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -26.2 68.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -90.04 -54.14 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 tp -135.59 140.72 44.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.96 99.27 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.46 43.88 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.32 97.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t 60.73 59.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -130.71 39.46 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.9 m -100.35 29.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 94.2 mtp -57.89 -26.73 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -100.48 -29.58 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.09 87.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.69 -61.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -172.64 137.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.19 105.84 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.9 -44.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 54.22 32.73 16.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.59 -62.0 1.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.22 25.46 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -78.38 -26.22 46.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.97 -26.39 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.45 -29.9 70.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.69 -53.42 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -52.0 -29.3 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.47 -37.96 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.01 -24.31 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -30.03 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -62.28 -55.13 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.52 134.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.73 -72.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.13 -15.74 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.13 162.23 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -104.98 142.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -78.98 72.99 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -95.78 26.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.4 mtp -74.94 -26.73 59.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -103.99 -43.29 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.74 -39.85 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -88.45 -63.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -77.95 92.17 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -112.49 -29.24 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -92.57 159.76 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -16.48 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.67 -72.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.32 25.27 9.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.22 -29.66 54.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.72 -26.38 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -64.24 -29.86 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.46 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -29.3 20.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -76.49 -37.59 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -11.11 60.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.77 6.37 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.33 -24.46 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mp -100.88 50.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.75 179.55 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.33 29.75 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.98 -31.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m 58.37 54.43 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -99.41 30.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.11 -26.13 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -103.73 -26.3 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.99 35.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -77.14 -29.29 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -95.48 94.64 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -108.07 85.7 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.53 162.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -117.52 26.57 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -65.71 -74.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 54.3 27.01 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -75.7 -29.56 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.84 -29.15 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -58.48 -37.31 75.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -36.76 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.69 -21.65 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.31 -40.59 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.82 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -68.1 -12.76 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -54.15 -27.88 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.91 30.78 5.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.6 mp -129.76 139.47 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.87 169.44 10.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.98 137.32 33.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.5 m -121.22 -36.32 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.079 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -110.4 83.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.5 m -110.32 35.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.0 tpt -53.6 -32.75 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.19 -27.88 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.44 -25.26 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 tp -80.39 -25.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -168.91 134.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -112.65 118.76 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.52 124.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -115.57 -16.54 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.28 -73.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.12 28.41 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -78.12 -28.89 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.19 -28.32 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.17 -26.18 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.54 -24.7 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.79 -20.79 38.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.27 -38.75 55.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.1 -58.08 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -56.53 -24.79 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -70.34 -26.08 63.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -31.96 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.0 mp -109.25 51.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 85.4 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.348 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD12 ' A' ' 38' ' ' ILE . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 23' ' ' ILE . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 38' ' ' ILE . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 23' ' ' ILE . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 35' ' ' ALA . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 23' ' ' ILE . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 23' ' ' ILE . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.8 -140.6 4.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.3 149.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -91.9 84.04 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 8.9 m -121.83 27.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mtm -56.8 -28.23 61.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.16 -32.94 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -63.54 -50.28 70.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.46 -32.67 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.87 132.5 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -96.32 30.05 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.45 -24.29 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp 58.64 31.52 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 mt -51.76 -31.21 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -37.72 62.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.97 -33.18 68.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 20' ' ' VAL . 13.0 tt0 -58.2 -25.88 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -77.77 -29.21 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.5 -29.52 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 17' ' ' GLU . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.98 -20.59 39.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -76.36 -40.75 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.68 -26.43 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -60.12 -46.28 90.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -55.37 -41.36 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.07 98.36 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.9 tp -116.57 138.84 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.81 97.57 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.97 -102.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t 65.14 53.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t 54.41 69.74 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.24 24.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -85.5 -22.57 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -109.27 -25.71 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.19 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mm -76.3 -49.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -78.41 76.09 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -83.1 -31.73 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.07 151.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -98.19 31.01 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.02 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 55.9 25.69 8.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.63 -27.9 45.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.35 -33.18 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.83 -30.77 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.67 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.12 -29.19 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -76.48 -37.5 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.31 -21.2 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -51.44 -51.27 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -25.39 68.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -77.91 -24.66 48.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.67 -49.64 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.59 159.44 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.16 161.04 9.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.801 HG13 HG13 ' A' ' 5' ' ' VAL . 7.8 p -172.99 139.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -66.05 91.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.801 HG13 HG13 ' A' ' 3' ' ' VAL . 14.6 m -103.67 33.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -26.13 64.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.53 -27.27 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -60.45 -49.42 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mm -57.02 -29.28 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -118.62 37.37 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -89.08 67.6 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.17 153.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -115.78 26.6 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.1 -38.65 11.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.46 69.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.71 -37.89 80.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.3 tp10 -59.47 -26.45 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.28 -30.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.78 -53.41 7.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 17' ' ' GLU . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.91 -20.67 38.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -76.34 -40.42 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.19 -32.46 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -73.43 -38.86 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -53.84 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 45' ' ' ILE . 7.3 tt -166.09 137.1 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.557 ' N ' HD23 ' A' ' 44' ' ' LEU . 42.6 mm -87.45 100.63 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.36 162.75 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.28 159.79 26.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.1 t -103.38 -72.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -133.02 93.96 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.824 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 6.5 m -114.53 44.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -54.25 -27.72 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -50.18 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.824 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -53.09 -29.33 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 5' ' ' VAL . 70.0 mt -85.32 -30.1 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -173.71 138.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -131.06 128.97 41.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.46 175.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -94.48 -16.65 23.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.92 -73.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.39 29.23 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.15 -31.15 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' VAL . 72.5 mt-10 -63.05 -26.36 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.64 -29.81 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.84 -53.42 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' GLU . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD12 ' A' ' 38' ' ' ILE . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -20.76 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.34 -40.66 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.34 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -62.01 -32.57 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -70.56 -31.48 68.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -107.66 87.1 2.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -127.99 -49.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 128.65 43.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.32 140.89 12.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.65 -41.11 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 71.9 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 7.0 m -118.26 28.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ttp -58.79 -29.8 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -91.11 -28.18 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -68.06 -45.67 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -81.31 -35.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -118.68 108.58 15.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -71.34 94.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.52 172.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -118.95 28.64 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.66 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.95 25.33 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.85 -28.12 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.39 -42.32 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -63.11 -29.13 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.99 -26.5 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 23' ' ' ILE . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 38' ' ' ILE . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -20.66 38.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -40.63 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.95 -25.3 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.76 92.78 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.0 mm -126.23 -48.43 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.84 122.47 45.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.47 150.27 22.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.66 69.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t 55.42 52.51 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -107.4 25.39 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.9 mmt -80.89 -26.05 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.58 -28.44 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.62 -49.8 36.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.67 -66.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 12' ' ' VAL . 35.4 ttpt -85.38 95.37 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.97 102.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 10' ' ' LYS . 22.1 t -93.83 138.73 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -107.88 -16.53 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.69 -55.26 28.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.95 28.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.12 -28.88 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 20' ' ' VAL . 14.7 pm0 -55.58 -26.07 41.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -89.25 -22.15 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.64 -24.16 45.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 17' ' ' GLU . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 23' ' ' ILE . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 35' ' ' ALA . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.33 -28.51 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -77.05 -37.59 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.5 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -26.2 68.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -90.04 -54.14 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 tp -135.59 140.72 44.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.96 99.27 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.46 43.88 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.32 97.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t 60.73 59.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -130.71 39.46 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 16.9 m -100.35 29.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 94.2 mtp -57.89 -26.73 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -100.48 -29.58 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -67.03 -40.09 87.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.69 -61.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -172.64 137.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.19 105.84 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.9 -44.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 54.22 32.73 16.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -51.59 -62.0 1.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.22 25.46 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' HD12 ' A' ' 14' ' ' LEU . 3.4 pt-20 -78.38 -26.22 46.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -61.97 -26.39 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.45 -29.9 70.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.69 -53.42 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 17' ' ' GLU . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 23' ' ' ILE . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -52.0 -29.3 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.47 -37.96 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.01 -24.31 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -30.03 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -62.28 -55.13 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.52 134.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.73 -72.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.13 -15.74 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.13 162.23 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -104.98 142.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -78.98 72.99 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -95.78 26.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.4 mtp -74.94 -26.73 59.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -103.99 -43.29 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.74 -39.85 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -88.45 -63.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -77.95 92.17 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -112.49 -29.24 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -92.57 159.76 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -16.48 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.67 -72.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.32 25.27 9.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.22 -29.66 54.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 20' ' ' VAL . 3.3 tp10 -56.72 -26.38 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -64.24 -29.86 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.46 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 17' ' ' GLU . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -29.3 20.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -76.49 -37.59 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -11.11 60.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.77 6.37 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.33 -24.46 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 45' ' ' ILE . 2.9 mp -100.88 50.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.75 179.55 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.33 29.75 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.98 -31.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m 58.37 54.43 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -99.41 30.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.11 -26.13 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -103.73 -26.3 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.99 35.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -77.14 -29.29 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -95.48 94.64 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -108.07 85.7 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.53 162.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -117.52 26.57 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -65.71 -74.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 54.3 27.01 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -75.7 -29.56 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.84 -29.15 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -58.48 -37.31 75.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -36.76 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.69 -21.65 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.31 -40.59 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.82 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.787 ' HA ' HD13 ' A' ' 45' ' ' ILE . 5.7 mptp? -68.1 -12.76 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -54.15 -27.88 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -104.91 30.78 5.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' A' ' 42' ' ' LYS . 2.6 mp -129.76 139.47 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.87 169.44 10.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.98 137.32 33.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.5 m -121.22 -36.32 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.079 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -110.4 83.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.756 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 6.5 m -110.32 35.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.0 tpt -53.6 -32.75 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.19 -27.88 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.756 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -71.44 -25.26 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 5' ' ' VAL . 5.2 tp -80.39 -25.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -168.91 134.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -112.65 118.76 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.52 124.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -115.57 -16.54 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.28 -73.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.12 28.41 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -78.12 -28.89 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.19 -28.32 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.17 -26.18 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.54 -24.7 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 23' ' ' ILE . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.79 -20.79 38.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.27 -38.75 55.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -53.1 -58.08 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -56.53 -24.79 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -70.34 -26.08 63.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -31.96 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 41' ' ' ALA . 3.0 mp -109.25 51.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 85.4 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.832 0.348 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.852 0.358 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.776 0.322 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD12 ' A' ' 38' ' ' ILE . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 23' ' ' ILE . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 38' ' ' ILE . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 23' ' ' ILE . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 35' ' ' ALA . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.88 0.371 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 23' ' ' ILE . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.803 0.335 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.848 0.356 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 23' ' ' ILE . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.871 0.367 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.8 -140.6 4.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.498 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.3 149.08 24.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.78 0.324 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.1 p -91.9 84.04 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 8.9 m -121.83 27.19 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mtm -56.8 -28.23 61.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -99.16 -32.94 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -63.54 -50.28 70.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm -62.46 -32.67 55.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.87 132.5 8.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -96.32 30.05 2.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -75.45 -24.29 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp 58.64 31.52 21.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.1 mt -51.76 -31.21 25.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.33 -37.72 62.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.5 mm-40 -57.97 -33.18 68.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HA ' HG22 ' A' ' 20' ' ' VAL . 13.0 tt0 -58.2 -25.88 62.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -77.77 -29.21 50.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.5 -29.52 46.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 17' ' ' GLU . 34.6 m -84.23 -33.82 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -77.54 -27.93 51.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -78.78 -34.02 45.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -85.9 -32.51 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.456 ' N ' HD12 ' A' ' 23' ' ' ILE . 48.9 tp10 -56.83 -46.04 81.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -52.59 -33.97 48.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.35 74.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -77.14 -43.32 34.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -53.74 -48.37 69.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.48 46.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 27' ' ' LYS . . . -75.01 -31.46 61.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.74 -23.27 49.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -56.92 -26.52 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.53 -50.14 13.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.2 mttm -60.11 -26.59 66.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.25 -30.54 64.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.136 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -52.81 -35.22 56.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.34 -30.91 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.96 -22.96 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -57.98 -20.59 39.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -76.36 -40.75 50.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.68 -26.43 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.3 mmtm -60.12 -46.28 90.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -55.37 -41.36 72.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tt -142.07 98.36 3.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.954 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.9 tp -116.57 138.84 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.81 97.57 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.97 -102.84 0.57 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.0 t 65.14 53.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.7 t 54.41 69.74 0.69 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.8 m -124.24 24.73 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.114 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -85.5 -22.57 28.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -109.27 -25.71 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.52 -49.19 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mm -76.3 -49.8 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.171 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -78.41 76.09 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -83.1 -31.73 27.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.2 t -66.07 151.27 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.3 mttp -98.19 31.01 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.02 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 55.9 25.69 8.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -78.63 -27.9 45.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -61.35 -33.18 73.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.83 -30.77 67.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.63 -42.67 70.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.1 t -65.1 -35.64 75.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -29.69 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -77.52 -50.85 11.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.48 -33.42 61.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -69.46 -34.14 73.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.87 -36.56 70.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.63 -40.29 96.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -63.89 -31.38 72.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -66.56 -38.03 86.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -53.85 -30.14 44.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.74 -32.95 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -66.63 -26.49 67.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -57.92 -26.27 61.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.39 -49.95 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.3 mmtm -61.0 -26.42 67.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.43 -35.19 62.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 54.3 mt-10 -81.01 -38.71 27.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.76 -34.99 41.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.17 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -52.12 -29.19 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -76.48 -37.5 56.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.31 -21.2 53.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -51.44 -51.27 56.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.67 -25.39 68.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -77.91 -24.66 48.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.9 mm -51.67 -49.64 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.59 159.44 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.0 ttp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.78 0.324 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.16 161.04 9.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.801 HG13 HG13 ' A' ' 5' ' ' VAL . 7.8 p -172.99 139.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.786 0.327 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.4 t -66.05 91.09 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.801 HG13 HG13 ' A' ' 3' ' ' VAL . 14.6 m -103.67 33.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.164 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.17 -26.13 64.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -105.53 -27.27 11.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.697 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -60.45 -49.42 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.4 mm -57.02 -29.28 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 pttt -118.62 37.37 4.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -89.08 67.6 8.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -69.17 153.54 8.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -115.78 26.6 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.0 mp -93.1 -38.65 11.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.11 -37.46 69.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -59.71 -37.89 80.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' HA ' HG12 ' A' ' 20' ' ' VAL . 5.3 tp10 -59.47 -26.45 65.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -65.28 -30.54 71.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.78 -53.41 7.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 17' ' ' GLU . 12.5 p -62.07 -34.37 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -77.15 -29.31 54.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -77.08 -53.45 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -55.97 -32.67 33.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.6 tp10 -68.13 -58.99 3.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -52.11 -30.0 24.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.45 -48.34 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -78.18 -26.14 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -69.47 -55.91 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.28 -31.73 54.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.05 -35.08 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -64.88 -26.24 68.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -67.32 -25.55 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 32.7 mm -84.98 -46.44 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -72.11 -25.51 61.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.45 -37.7 65.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.117 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -52.42 -46.88 66.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.31 -27.34 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.113 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.8 mp -95.21 -22.94 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -57.91 -20.67 38.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -76.34 -40.42 51.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.19 -32.46 48.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -73.43 -38.86 65.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -53.84 -55.47 26.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.557 HD23 ' N ' ' A' ' 45' ' ' ILE . 7.3 tt -166.09 137.1 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.557 ' N ' HD23 ' A' ' 44' ' ' LEU . 42.6 mm -87.45 100.63 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.36 162.75 26.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.051 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.28 159.79 26.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.1 t -103.38 -72.61 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.316 . . . . 0.0 111.088 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 m -133.02 93.96 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.824 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 6.5 m -114.53 44.0 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.141 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -54.25 -27.72 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.64 -50.18 6.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.824 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -53.09 -29.33 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 5' ' ' VAL . 70.0 mt -85.32 -30.1 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.094 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -173.71 138.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -131.06 128.97 41.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.5 m -131.46 175.1 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.2 mmmt -94.48 -16.65 23.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.92 -73.92 0.33 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.912 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 52.39 29.23 6.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.08 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.15 -31.15 58.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 20' ' ' VAL . 72.5 mt-10 -63.05 -26.36 68.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.64 -29.81 70.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.84 -53.42 7.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.073 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.491 HG22 ' HA ' ' A' ' 17' ' ' GLU . 35.9 m -62.47 -34.42 64.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -29.52 68.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -75.65 -57.61 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.13 -33.36 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.145 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' N ' HD12 ' A' ' 23' ' ' ILE . 11.2 tt0 -75.07 -57.04 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -56.56 -28.19 59.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.18 -36.99 46.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -78.22 -27.05 47.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -59.86 -26.13 65.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.72 -30.05 42.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.01 -35.49 76.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -77.42 -26.99 52.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.44 -27.26 67.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mm -89.2 -49.97 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.715 ' O ' HD12 ' A' ' 38' ' ' ILE . 9.0 mmmm -63.02 -26.73 68.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -30.08 52.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.9 -28.18 68.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.37 -24.68 34.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -92.57 -23.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.87 -20.76 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -76.34 -40.66 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.34 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 tptm -62.01 -32.57 73.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -70.56 -31.48 68.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -107.66 87.1 2.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.948 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 46.3 mm -127.99 -49.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -129.12 128.65 43.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.14 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -134.32 140.89 12.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.531 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.0 t -98.65 -41.11 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 111.126 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -95.46 71.9 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 7.0 m -118.26 28.45 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ttp -58.79 -29.8 67.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.6 tt0 -91.11 -28.18 18.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.525 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -68.06 -45.67 73.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 mt -81.31 -35.52 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -118.68 108.58 15.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.2 mp0 -71.34 94.42 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.52 172.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -118.95 28.64 8.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 mp -83.66 -65.96 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 61.95 25.33 15.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.85 -28.12 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -65.39 -42.32 92.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -63.11 -29.13 70.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.99 -26.5 64.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.0 t -60.81 -34.63 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -29.1 56.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -78.45 -49.73 12.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.46 -33.83 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' HD12 ' A' ' 23' ' ' ILE . 24.1 pt-20 -80.46 -32.48 37.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -55.66 -38.07 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.36 -37.13 82.73 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -64.83 -41.13 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -58.3 -41.5 84.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.4 mmt85 -53.72 -32.87 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.6 -29.3 63.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.063 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -74.12 -30.28 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -64.22 -26.85 68.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.5 mm -91.15 -48.38 13.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.624 ' O ' HD12 ' A' ' 38' ' ' ILE . 25.9 ttmt -56.56 -24.01 44.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.45 -29.84 37.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.89 -44.71 39.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.36 -30.21 18.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.078 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.624 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.7 mp -95.28 -23.17 5.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -20.66 38.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -76.43 -40.63 50.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.95 -25.3 58.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.1 tptt -64.35 -26.25 68.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.75 -31.9 73.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.915 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.76 92.78 3.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.0 mm -126.23 -48.43 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.84 122.47 45.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.827 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.033 0 CA-C-O 120.811 0.339 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -142.47 150.27 22.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.6 m -114.66 69.06 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.183 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.0 t 55.42 52.51 11.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 28.6 m -107.4 25.39 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.9 mmt -80.89 -26.05 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -99.58 -28.44 13.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.62 -49.8 36.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.5 mt -77.67 -66.57 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 12' ' ' VAL . 35.4 ttpt -85.38 95.37 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.97 102.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 10' ' ' LYS . 22.1 t -93.83 138.73 19.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -107.88 -16.53 14.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.69 -55.26 28.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.94 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.95 28.25 8.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.081 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -75.12 -28.88 60.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.585 ' O ' HG12 ' A' ' 20' ' ' VAL . 14.7 pm0 -55.58 -26.07 41.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -89.25 -22.15 22.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.64 -24.16 45.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.043 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 17' ' ' GLU . 12.2 p -50.87 -33.63 12.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -76.76 -36.32 57.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -69.98 -47.3 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -68.14 -32.72 57.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' N ' HD12 ' A' ' 23' ' ' ILE . 15.0 tp10 -76.66 -56.18 4.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -53.27 -30.59 39.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.41 80.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -72.69 -36.68 67.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -55.11 -49.33 72.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -53.86 -35.22 61.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.21 61.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -69.67 -26.81 64.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -60.59 -27.26 67.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.38 -50.07 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -61.28 -27.6 68.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.39 -29.9 50.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -58.92 -27.98 65.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.96 13.04 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 35' ' ' ALA . 5.6 mt -127.24 -61.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.33 -28.51 19.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -77.05 -37.59 54.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.5 68.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -26.2 68.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -90.04 -54.14 4.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.9 tp -135.59 140.72 44.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.96 99.27 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.46 43.88 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 -179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.32 97.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 15.6 t 60.73 59.02 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.2 m -130.71 39.46 3.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 16.9 m -100.35 29.25 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 94.2 mtp -57.89 -26.73 62.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -100.48 -29.58 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -67.03 -40.09 87.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.102 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.69 -61.84 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -172.64 137.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -76.19 105.84 7.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.932 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -137.9 -44.19 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt 54.22 32.73 16.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD12 ' HG2' ' A' ' 16' ' ' GLU . 0.4 OUTLIER -51.59 -62.0 1.9 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 62.22 25.46 15.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.489 ' HG2' HD12 ' A' ' 14' ' ' LEU . 3.4 pt-20 -78.38 -26.22 46.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' HG22 ' A' ' 20' ' ' VAL . 0.9 OUTLIER -61.97 -26.39 68.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -64.45 -29.9 70.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.69 -53.42 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 17' ' ' GLU . 35.8 m -62.93 -34.44 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -73.1 -37.63 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -72.34 -52.47 16.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -59.71 -33.35 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.437 ' N ' HD12 ' A' ' 23' ' ' ILE . 9.7 tt0 -65.59 -41.75 92.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -54.27 -28.04 39.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.33 -46.47 86.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -67.22 -26.03 66.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -65.23 -26.47 68.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.875 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.2 mtt-85 -53.99 -30.4 47.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.53 -30.36 63.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -72.01 -26.15 62.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -58.03 -25.83 61.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.75 -50.21 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 mtmm -62.72 -25.7 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.501 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.56 -32.32 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -81.03 -38.9 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.74 -35.53 43.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.84 -70.07 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -52.0 -29.3 20.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -76.47 -37.96 56.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.01 -24.31 66.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.15 -30.03 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.7 tptt -62.28 -55.13 31.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.935 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -173.52 134.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.3 mp -112.73 -72.17 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.119 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.13 -15.74 10.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 79.5 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.13 162.23 30.26 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 36.7 t -104.98 142.6 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.358 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 82.3 p -78.98 72.99 5.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.825 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -95.78 26.68 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 52.4 mtp -74.94 -26.73 59.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -103.99 -43.29 5.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.74 -39.85 62.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -88.45 -63.95 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -77.95 92.17 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -112.49 -29.24 7.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 m -92.57 159.76 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -16.48 12.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.2 mt -63.67 -72.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.32 25.27 9.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -77.22 -29.66 54.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' HG22 ' A' ' 20' ' ' VAL . 3.3 tp10 -56.72 -26.38 56.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -64.24 -29.86 70.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.76 -53.46 7.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.489 HG22 ' HA ' ' A' ' 17' ' ' GLU . 36.0 m -63.01 -34.48 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -76.45 -28.36 56.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -77.75 -50.84 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.835 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -61.08 -33.62 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' N ' HD12 ' A' ' 23' ' ' ILE . 2.0 tp10 -69.51 -47.29 64.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -54.67 -27.99 44.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.18 -38.27 51.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -78.26 -25.27 46.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -64.01 -24.19 67.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.65 -29.54 38.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.27 -34.21 72.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -77.17 -27.87 53.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.72 -26.4 68.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -86.7 -50.16 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.153 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -65.58 -26.55 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.492 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.53 -35.27 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -81.05 -38.64 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.75 -34.81 41.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.492 HD12 ' HA ' ' A' ' 35' ' ' ALA . 3.4 mt -65.88 -70.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.131 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.99 -29.3 20.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -76.49 -37.59 56.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -11.11 60.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.77 6.37 28.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 -29.3 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.33 -24.46 12.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.427 HD12 ' H ' ' A' ' 45' ' ' ILE . 2.9 mp -100.88 50.25 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.75 179.55 4.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.3 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.33 29.75 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.3 m -58.98 -31.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.827 0.346 . . . . 0.0 111.165 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m 58.37 54.43 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.8 m -99.41 30.03 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 35.4 mtt -65.11 -26.13 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -103.73 -26.3 12.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.29 -53.99 35.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.077 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 mm -77.14 -29.29 17.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -95.48 94.64 7.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 pm0 -108.07 85.7 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.53 162.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -117.52 26.57 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -65.71 -74.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 54.3 27.01 7.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -75.7 -29.56 59.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -61.84 -29.15 69.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -58.48 -37.31 75.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -36.76 79.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -53.79 -35.57 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.14 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -73.85 -33.61 64.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.885 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -73.18 -53.68 10.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -60.01 -32.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' N ' HD12 ' A' ' 23' ' ' ILE . 34.7 tt0 -70.64 -44.58 66.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -54.82 -36.68 65.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.78 -35.41 62.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -74.11 -26.46 60.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -65.65 -56.91 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.33 -28.51 69.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.21 -39.65 78.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -71.57 -25.95 62.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.3 tp60 -64.46 -26.25 68.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 77.8 mt -85.56 -50.19 14.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -25.84 67.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 38' ' ' ILE . . . -54.38 -29.97 50.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.77 -27.98 67.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.64 -12.84 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.402 HD12 ' HA ' ' A' ' 35' ' ' ALA . 2.7 mp -103.07 -22.52 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -56.69 -21.65 29.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -76.31 -40.59 51.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.82 70.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.138 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.787 ' HA ' HD13 ' A' ' 45' ' ' ILE . 5.7 mptp? -68.1 -12.76 61.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -54.15 -27.88 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.676 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -104.91 30.78 5.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.952 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' A' ' 42' ' ' LYS . 2.6 mp -129.76 139.47 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.87 169.44 10.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.815 0.341 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.98 137.32 33.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.5 m -121.22 -36.32 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.788 0.328 . . . . 0.0 111.079 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -110.4 83.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.756 ' HB ' ' HB3' ' A' ' 8' ' ' ALA . 6.5 m -110.32 35.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 8.0 tpt -53.6 -32.75 52.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -97.19 -27.88 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.756 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . . . -71.44 -25.26 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.089 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.628 HG22 ' O ' ' A' ' 5' ' ' VAL . 5.2 tp -80.39 -25.29 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -168.91 134.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -112.65 118.76 35.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.5 m -73.52 124.68 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -115.57 -16.54 11.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.28 -73.89 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 53.12 28.41 6.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -78.12 -28.89 48.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.19 -28.32 66.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -66.17 -26.18 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.54 -24.7 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 64.3 t -53.16 -34.5 21.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -29.71 64.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -78.71 -57.47 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.453 HD12 ' N ' ' A' ' 24' ' ' GLU . 2.6 pp -52.2 -32.91 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 23' ' ' ILE . 46.6 tp10 -77.7 -53.29 7.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -55.46 -35.28 65.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -70.29 -48.86 54.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.96 -36.9 65.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.11 -39.23 91.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 mtm180 -54.01 -35.79 62.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.02 81.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -66.3 -28.5 68.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -26.25 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.9 mt -89.42 -50.08 13.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.617 ' O ' HD12 ' A' ' 38' ' ' ILE . 14.1 ttmt -62.15 -26.56 68.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.61 -30.27 54.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -74.08 -31.24 62.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.63 -27.75 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 34' ' ' LYS . 2.8 mp -86.31 -22.91 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -57.79 -20.79 38.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -76.27 -38.75 55.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -53.1 -58.08 8.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.056 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -56.53 -24.79 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -70.34 -26.08 63.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.4 -31.96 58.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 41' ' ' ALA . 3.0 mp -109.25 51.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 85.4 6.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.06 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.928 . . . . . . . . 0 0 . 1 stop_ save_